3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid

C110H92N8O26 — CID 158196403

IUPAC3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESCc1cc(-c2ccc(NC(=O)c3ccccc3C(=O)O)c(C)c2)ccc1NC(=O)c1ccccc1C(=O)O.Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1.Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(C)c1.Cc1ccccc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)O)c1
InChIInChI=1S/C30H24N2O6.C24H20N2O6.C23H20N2O4.C17H15NO5.C16H13NO5/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29(35)36)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30(37)38;1-13-6-8-17(23(29)30)11-19(13)25-21(27)15-4-3-5-16(10-15)22(28)26-20-12-18(24(31)32)9-7-14(20)2;1-14-7-3-5-9-19(14)21(26)24-17-11-16(23(28)29)12-18(13-17)25-22(27)20-10-6-4-8-15(20)2;1-9-3-6-14(10(2)7-9)18-15(19)12-5-4-11(16(20)21)8-13(12)17(22)23;1-9-4-2-3-5-13(9)14(18)17-12-7-10(15(19)20)6-11(8-12)16(21)22/h3-16H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38);3-12H,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32);3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29);3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23);2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyGAJTVGZBISCCHG-UHFFFAOYSA-N
MW1941.98 g/mol
LogP20.18
Rot. Bonds26

About 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid

3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 158196403) has the molecular formula C110H92N8O26 and a molecular weight of 1941.98 g/mol. Its IUPAC name is 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID158196403
Molecular FormulaC110H92N8O26
Molecular Weight1941.98 g/mol
Exact Mass1940.61
IUPAC Name3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESCc1cc(-c2ccc(NC(=O)c3ccccc3C(=O)O)c(C)c2)ccc1NC(=O)c1ccccc1C(=O)O.Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1.Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(C)c1.Cc1ccccc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)O)c1
InChIInChI=1S/C30H24N2O6.C24H20N2O6.C23H20N2O4.C17H15NO5.C16H13NO5/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29(35)36)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30(37)38;1-13-6-8-17(23(29)30)11-19(13)25-21(27)15-4-3-5-16(10-15)22(28)26-20-12-18(24(31)32)9-7-14(20)2;1-14-7-3-5-9-19(14)21(26)24-17-11-16(23(28)29)12-18(13-17)25-22(27)20-10-6-4-8-15(20)2;1-9-3-6-14(10(2)7-9)18-15(19)12-5-4-11(16(20)21)8-13(12)17(22)23;1-9-4-2-3-5-13(9)14(18)17-12-7-10(15(19)20)6-11(8-12)16(21)22/h3-16H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38);3-12H,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32);3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29);3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23);2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyGAJTVGZBISCCHG-UHFFFAOYSA-N
XLogP20.18
TPSA568.50 Ų
H-Bond Donors17
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001941.98
LogP ≤ 520.18
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1017

Analyze 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid with MolForge

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Related Compounds

N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylbenzoyl)amino]benzoic acid
CID 46285303
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid (CID 158196403) is 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid is Cc1cc(-c2ccc(NC(=O)c3ccccc3C(=O)O)c(C)c2)ccc1NC(=O)c1ccccc1C(=O)O.Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(C(=O)Nc2cc(C(=O)O)ccc2C)c1.Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(C)c1.Cc1ccccc1C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)O)c1.
What is the InChIKey of 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is GAJTVGZBISCCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O6.C24H20N2O6.C23H20N2O4.C17H15NO5.C16H13NO5/c1-17-15-19(11-13-25(17)31-27(33)21-7-3-5-9-23(21)29(35)36)20-12-14-26(18(2)16-20)32-28(34)22-8-4-6-10-24(22)30(37)38;1-13-6-8-17(23(29)30)11-19(13)25-21(27)15-4-3-5-16(10-15)22(28)26-20-12-18(24(31)32)9-7-14(20)2;1-14-7-3-5-9-19(14)21(26)24-17-11-16(23(28)29)12-18(13-17)25-22(27)20-10-6-4-8-15(20)2;1-9-3-6-14(10(2)7-9)18-15(19)12-5-4-11(16(20)21)8-13(12)17(22)23;1-9-4-2-3-5-13(9)14(18)17-12-7-10(15(19)20)6-11(8-12)16(21)22/h3-16H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38);3-12H,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32);3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29);3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23);2-8H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 1941.98 g/mol, XLogP of 20.18, 26 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2-methylbenzoyl)amino]benzoic acid;2-[[4-[4-[(2-carboxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoic acid;3-[[3-[(5-carboxy-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoic acid;4-[(2,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;5-[(2-methylbenzoyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 158196403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).