3-[(3-methylbenzoyl)amino]phthalic acid

C16H13NO5 — CID 17172174

IUPAC3-[(3-methylbenzoyl)amino]phthalic acid
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)O)c2C(=O)O)c1
InChIInChI=1S/C16H13NO5/c1-9-4-2-5-10(8-9)14(18)17-12-7-3-6-11(15(19)20)13(12)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyRCMUAIWIWBJEON-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3-methylbenzoyl)amino]phthalic acid

3-[(3-methylbenzoyl)amino]phthalic acid (PubChem CID 17172174) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 3-[(3-methylbenzoyl)amino]phthalic acid.

Molecular Properties

Compound Name3-[(3-methylbenzoyl)amino]phthalic acid
PubChem CID17172174
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name3-[(3-methylbenzoyl)amino]phthalic acid
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)O)c2C(=O)O)c1
InChIInChI=1S/C16H13NO5/c1-9-4-2-5-10(8-9)14(18)17-12-7-3-6-11(15(19)20)13(12)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyRCMUAIWIWBJEON-UHFFFAOYSA-N
XLogP2.64
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methylbenzoyl)amino]phthalic 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-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
5-[[3-carboxy-4-[(3-methylbenzoyl)amino]phenyl]methyl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 131976762
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
CID 24700759
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
2-(3-methylbenzoyl)benzoic acid
CID 2801746
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
CID 78775101

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylbenzoyl)amino]phthalic acid?
The IUPAC name of 3-[(3-methylbenzoyl)amino]phthalic acid (CID 17172174) is 3-[(3-methylbenzoyl)amino]phthalic acid.
What is the SMILES notation for 3-[(3-methylbenzoyl)amino]phthalic acid?
The canonical SMILES for 3-[(3-methylbenzoyl)amino]phthalic acid is Cc1cccc(C(=O)Nc2cccc(C(=O)O)c2C(=O)O)c1.
What is the InChIKey of 3-[(3-methylbenzoyl)amino]phthalic acid?
The InChIKey is RCMUAIWIWBJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-9-4-2-5-10(8-9)14(18)17-12-7-3-6-11(15(19)20)13(12)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 3-[(3-methylbenzoyl)amino]phthalic acid?
3-[(3-methylbenzoyl)amino]phthalic acid has a molecular weight of 299.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylbenzoyl)amino]phthalic acid is sourced from PubChem (CID 17172174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).