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Acylaminobenzoic acid and derivatives

Organic compounds that consist of a benzoic acid with an acylamino substitution; an acylamino substitution consists of a carbon atom bonded to a carbonyl group that is bonded to a nitrogen atom bonded to a hydrogen atom and an organic group.
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Keyword Search:
1 – 15 of 17 results
1

Iodixanol, TRC

CAS: 92339-11-2 Molecular Formula: C35 H44 I6 N6 O15 Molecular Weight (g/mol): 1550.18 Synonym: 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide,2-5410-3A,Iodixanol,OptiPrep,Visipaque,Visipaque 270 IUPAC Name: 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I

CAS 92339-11-2
Molecular Weight (g/mol) 1550.18
SMILES CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I
Synonym 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide,2-5410-3A,Iodixanol,OptiPrep,Visipaque,Visipaque 270
IUPAC Name 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula C35 H44 I6 N6 O15
2

Iopamidol, TRC

CAS: 60166-93-0 Molecular Formula: C17 H22 I3 N3 O8 Molecular Weight (g/mol): 777.09 Synonym: Iopamidol,N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I

CAS 60166-93-0
Molecular Weight (g/mol) 777.09
SMILES C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
Synonym Iopamidol,N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
IUPAC Name 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula C17 H22 I3 N3 O8
3

Ioversol, TRC

CAS: 87771-40-2 Molecular Formula: C18 H24 I3 N3 O9 Molecular Weight (g/mol): 807.11 Synonym: 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI),N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide,1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide,Ioversol,MP 328,Optiray,Optiray 320,P 530,P 530 (contrast agent) IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

CAS 87771-40-2
Molecular Weight (g/mol) 807.11
SMILES OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Synonym 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI),N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide,1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide,Ioversol,MP 328,Optiray,Optiray 320,P 530,P 530 (contrast agent)
IUPAC Name 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula C18 H24 I3 N3 O9
4

Ethopabate, TRC

CAS: 59-06-3 Molecular Formula: C12 H15 N O4 Molecular Weight (g/mol): 237.25 Synonym: Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester,Benzoic acid, 4-acetamido-2-ethoxy-, methyl ester (7CI,8CI),4-Acetamido-2-ethoxybenzoic acid methyl ester,Ethopabate,Ethyl pabate,Methyl 2-ethoxy-4-acetamidobenzoate,Methyl 4-(acetylamino)-2-ethoxybenzoate,Methyl 4-acetamido-2-ethoxybenzoate IUPAC Name: methyl 4-acetamido-2-ethoxybenzoate SMILES: CCOc1cc(NC(=O)C)ccc1C(=O)OC

CAS 59-06-3
Molecular Weight (g/mol) 237.25
SMILES CCOc1cc(NC(=O)C)ccc1C(=O)OC
Synonym Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester,Benzoic acid, 4-acetamido-2-ethoxy-, methyl ester (7CI,8CI),4-Acetamido-2-ethoxybenzoic acid methyl ester,Ethopabate,Ethyl pabate,Methyl 2-ethoxy-4-acetamidobenzoate,Methyl 4-(acetylamino)-2-ethoxybenzoate,Methyl 4-acetamido-2-ethoxybenzoate
IUPAC Name methyl 4-acetamido-2-ethoxybenzoate
Molecular Formula C12 H15 N O4
6

Ioxaglic Acid, TRC

CAS: 59017-64-0 Molecular Formula: C24 H21 I6 N5 O8 Molecular Weight (g/mol): 1268.88 Synonym: Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid SMILES: CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I

CAS 59017-64-0
Molecular Weight (g/mol) 1268.88
SMILES CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I
Synonym Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
IUPAC Name 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Molecular Formula C24 H21 I6 N5 O8
7

Iothalamic Acid, TRC

CAS: 2276-90-6 Molecular Formula: C11 H9 I3 N2 O4 Molecular Weight (g/mol): 613.91 Synonym: Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-,Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI),3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid,5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid,5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid,Cysto Conray II,Iotalamic acid,Iothalamic acid,MI 216,Methalamic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid SMILES: CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I

CAS 2276-90-6
Molecular Weight (g/mol) 613.91
SMILES CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
Synonym Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-,Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI),3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid,5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid,5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid,Cysto Conray II,Iotalamic acid,Iothalamic acid,MI 216,Methalamic acid
IUPAC Name 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Molecular Formula C11 H9 I3 N2 O4
8

Ethyl 4-Acetamidobenzoate, TRC

CAS: 5338-44-3 Molecular Formula: C11 H13 N O3 Molecular Weight (g/mol): 207.23 Synonym: N-Acetylbenzocaine,Benzoic acid, 4-(acetylamino)-, ethyl ester,Benzoic acid, p-acetamido-, ethyl ester (6CI,8CI),4'-Carbethoxyacetanilide,Ethyl 4-acetamidobenzoate,Ethyl 4-acetylaminobenzoate,Ethyl N-acetyl-4-aminobenzoate,N-(4-(Ethoxycarbonyl)phenyl)acetamide,NSC 28987,NSC 3160 IUPAC Name: ethyl 4-acetamidobenzoate SMILES: CCOC(=O)c1ccc(NC(=O)C)cc1

CAS 5338-44-3
Molecular Weight (g/mol) 207.23
SMILES CCOC(=O)c1ccc(NC(=O)C)cc1
Synonym N-Acetylbenzocaine,Benzoic acid, 4-(acetylamino)-, ethyl ester,Benzoic acid, p-acetamido-, ethyl ester (6CI,8CI),4'-Carbethoxyacetanilide,Ethyl 4-acetamidobenzoate,Ethyl 4-acetylaminobenzoate,Ethyl N-acetyl-4-aminobenzoate,N-(4-(Ethoxycarbonyl)phenyl)acetamide,NSC 28987,NSC 3160
IUPAC Name ethyl 4-acetamidobenzoate
Molecular Formula C11 H13 N O3
9

N-Formyl Benzocaine, TRC

CAS: 5422-63-9 Molecular Formula: C10 H11 N O3 Molecular Weight (g/mol): 193.199 Synonym: 4-(Formylamino)benzoic Acid Ethyl Ester,Benzoic acid, p-formamido-, ethyl ester (6CI),Ethyl 4-(formylamino)benzoate,Ethyl 4-formamidobenzoate,Ethyl p-formamidobenzoate,NSC 12009,Ethyl 4-Formamidobenzoate,N-Formylbenzocaine,N-Formyl benzocaine IUPAC Name: ethyl 4-formamidobenzoate SMILES: CCOC(=O)c1ccc(NC=O)cc1

CAS 5422-63-9
Molecular Weight (g/mol) 193.199
SMILES CCOC(=O)c1ccc(NC=O)cc1
Synonym 4-(Formylamino)benzoic Acid Ethyl Ester,Benzoic acid, p-formamido-, ethyl ester (6CI),Ethyl 4-(formylamino)benzoate,Ethyl 4-formamidobenzoate,Ethyl p-formamidobenzoate,NSC 12009,Ethyl 4-Formamidobenzoate,N-Formylbenzocaine,N-Formyl benzocaine
IUPAC Name ethyl 4-formamidobenzoate
Molecular Formula C10 H11 N O3
10

N-Acetal Bromopride, TRC

CAS: 94135-22-5 Molecular Formula: C16H24BrN3O3 Molecular Weight (g/mol): 386.28 Synonym: 4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide,Bromopride Impurity A IUPAC Name: 4-acetamido-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide SMILES: CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC

CAS 94135-22-5
Molecular Weight (g/mol) 386.28
SMILES CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC
Synonym 4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide,Bromopride Impurity A
IUPAC Name 4-acetamido-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Molecular Formula C16H24BrN3O3
11

Metalaxyl metabolit CGA 108906, TRC

CAS: 104390-56-9 Molecular Formula: C14 H17 N O6 Molecular Weight (g/mol): 295.29 Synonym: 2-[(1-Carboxyethyl)(2-methoxyacetyl)amino]-3-methylbenzoic acid,2-[(1-Carboxyethyl)(methoxyacetyl)amino]-3-methyl-benzoic Acid,Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl- (9CI),Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl-, (±)-,Metalaxyl metabolite CGA 108906 IUPAC Name: 2-[1-carboxyethyl-(2-methoxyacetyl)amino]-3-methylbenzoic acid SMILES: COCC(=O)N(C(C)C(=O)O)c1c(C)cccc1C(=O)O

CAS 104390-56-9
Molecular Weight (g/mol) 295.29
SMILES COCC(=O)N(C(C)C(=O)O)c1c(C)cccc1C(=O)O
Synonym 2-[(1-Carboxyethyl)(2-methoxyacetyl)amino]-3-methylbenzoic acid,2-[(1-Carboxyethyl)(methoxyacetyl)amino]-3-methyl-benzoic Acid,Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl- (9CI),Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl-, (±)-,Metalaxyl metabolite CGA 108906
IUPAC Name 2-[1-carboxyethyl-(2-methoxyacetyl)amino]-3-methylbenzoic acid
Molecular Formula C14 H17 N O6
12

Carboxyformamido Metazachlor Benzoic Acid, TRC

CAS: 1367578-41-3 Molecular Formula: C14 H13 N3 O5 Molecular Weight (g/mol): 303.27 Synonym: Metazachlor Metabolite BH 479-12,Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl- IUPAC Name: 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid SMILES: Cc1cccc(C(=O)O)c1N(Cn2cccn2)C(=O)C(=O)O

CAS 1367578-41-3
Molecular Weight (g/mol) 303.27
SMILES Cc1cccc(C(=O)O)c1N(Cn2cccn2)C(=O)C(=O)O
Synonym Metazachlor Metabolite BH 479-12,Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl-
IUPAC Name 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid
Molecular Formula C14 H13 N3 O5
13

Methyl 4-Acetamido-2-hydroxybenzoate, TRC

CAS: 4093-28-1 Molecular Formula: C10 H11 N O4 Molecular Weight (g/mol): 209.2 Synonym: Methyl 4-(Acetylamino)-2-hydroxybenzoate IUPAC Name: methyl 4-acetamido-2-hydroxybenzoate SMILES: COC(=O)c1ccc(NC(=O)C)cc1O

CAS 4093-28-1
Molecular Weight (g/mol) 209.2
SMILES COC(=O)c1ccc(NC(=O)C)cc1O
Synonym Methyl 4-(Acetylamino)-2-hydroxybenzoate
IUPAC Name methyl 4-acetamido-2-hydroxybenzoate
Molecular Formula C10 H11 N O4
14

Methyl 4-Acetamido-2-methoxybenzoate, TRC

CAS: 4093-29-2 Molecular Formula: C11 H13 N O4 Molecular Weight (g/mol): 223.23 Synonym: Methyl 4-(Acetylamino)-2-methoxybenzoate,Metoclopramide Imp. D (EP),Metoclopramide Imp. D (EP),Metoclopramide USP Related Compound D,Metoclopramide USP RC D,Methyl 4-(Acetylamino)-2-methoxybenzoate,Metoclopramide Related Compound D,Metoclopramide Hydrochloride Monohydrate Impurity D,Metoclopramide Impurity D IUPAC Name: methyl 4-acetamido-2-methoxybenzoate SMILES: COC(=O)c1ccc(NC(=O)C)cc1OC

CAS 4093-29-2
Molecular Weight (g/mol) 223.23
SMILES COC(=O)c1ccc(NC(=O)C)cc1OC
Synonym Methyl 4-(Acetylamino)-2-methoxybenzoate,Metoclopramide Imp. D (EP),Metoclopramide Imp. D (EP),Metoclopramide USP Related Compound D,Metoclopramide USP RC D,Methyl 4-(Acetylamino)-2-methoxybenzoate,Metoclopramide Related Compound D,Metoclopramide Hydrochloride Monohydrate Impurity D,Metoclopramide Impurity D
IUPAC Name methyl 4-acetamido-2-methoxybenzoate
Molecular Formula C11 H13 N O4
15

4-Acetylamino-3-hydroxybenzoic Acid Ethyl Ester, TRC

CAS: 1346604-18-9 Molecular Formula: C11N13NO4 Molecular Weight (g/mol): 223.23 Synonym: Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-hydroxybenzoate SMILES: CCOC(=O)c1ccc(NC(=O)C)c(O)c1

CAS 1346604-18-9
Molecular Weight (g/mol) 223.23
SMILES CCOC(=O)c1ccc(NC(=O)C)c(O)c1
Synonym Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester
IUPAC Name ethyl 4-acetamido-3-hydroxybenzoate
Molecular Formula C11N13NO4