3,4-bis[(4-methylbenzoyl)amino]benzoic acid

C23H20N2O4 — CID 1296278

IUPAC3,4-bis[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-19-12-11-18(23(28)29)13-20(19)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyCPMAIBZPAIATEN-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.51
Rot. Bonds5

About 3,4-bis[(4-methylbenzoyl)amino]benzoic acid

3,4-bis[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 1296278) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3,4-bis[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3,4-bis[(4-methylbenzoyl)amino]benzoic acid
PubChem CID1296278
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3,4-bis[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-19-12-11-18(23(28)29)13-20(19)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyCPMAIBZPAIATEN-UHFFFAOYSA-N
XLogP4.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
3,4-diacetamidobenzoic acid
CID 2735923
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3,4-bis[(4-methylbenzoyl)amino]benzoic acid (CID 1296278) is 3,4-bis[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3,4-bis[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3,4-bis[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3,4-bis[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is CPMAIBZPAIATEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-19-12-11-18(23(28)29)13-20(19)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 3,4-bis[(4-methylbenzoyl)amino]benzoic acid?
3,4-bis[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 1296278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).