2-[(3,5-dimethylbenzoyl)amino]benzoic acid

C16H15NO3 — CID 16771715

IUPAC2-[(3,5-dimethylbenzoyl)amino]benzoic acid
SMILESCc1cc(C)cc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-10-7-11(2)9-12(8-10)15(18)17-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyQINZHWLUDPKLHC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds3

About 2-[(3,5-dimethylbenzoyl)amino]benzoic acid

2-[(3,5-dimethylbenzoyl)amino]benzoic acid (PubChem CID 16771715) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3,5-dimethylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylbenzoyl)amino]benzoic acid
PubChem CID16771715
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[(3,5-dimethylbenzoyl)amino]benzoic acid
SMILESCc1cc(C)cc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-10-7-11(2)9-12(8-10)15(18)17-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyQINZHWLUDPKLHC-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-dimethylbenzoyl)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

N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
N-(3-acetamido-2-methylphenyl)-3,5-dimethylbenzamide
CID 39975965
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 24699302
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3,5-dimethylbenzoyl)amino]benzoic acid (CID 16771715) is 2-[(3,5-dimethylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3,5-dimethylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3,5-dimethylbenzoyl)amino]benzoic acid is Cc1cc(C)cc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3,5-dimethylbenzoyl)amino]benzoic acid?
The InChIKey is QINZHWLUDPKLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-7-11(2)9-12(8-10)15(18)17-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,5-dimethylbenzoyl)amino]benzoic acid?
2-[(3,5-dimethylbenzoyl)amino]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 16771715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).