2,4-bis[(4-methylbenzoyl)amino]benzoic acid

C23H20N2O4 — CID 161042789

IUPAC2,4-bis[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)c(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-18-11-12-19(23(28)29)20(13-18)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyUBCGBZWRUUXYLK-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.51
Rot. Bonds5

About 2,4-bis[(4-methylbenzoyl)amino]benzoic acid

2,4-bis[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 161042789) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2,4-bis[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-bis[(4-methylbenzoyl)amino]benzoic acid
PubChem CID161042789
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2,4-bis[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)c(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-18-11-12-19(23(28)29)20(13-18)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyUBCGBZWRUUXYLK-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

Analyze 2,4-bis[(4-methylbenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
4-(propanoylamino)-2-[(4-propan-2-yloxycarbonylbenzoyl)amino]benzoic acid
CID 23343042
2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid
CID 50783034
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2,4-bis[(4-methylbenzoyl)amino]benzoic acid (CID 161042789) is 2,4-bis[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2,4-bis[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2,4-bis[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(NC(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 2,4-bis[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is UBCGBZWRUUXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-18-11-12-19(23(28)29)20(13-18)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 2,4-bis[(4-methylbenzoyl)amino]benzoic acid?
2,4-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 2,4-bis[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 161042789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).