2-[(2,6-dimethylbenzoyl)amino]benzoic acid

C16H15NO3 — CID 107999955

IUPAC2-[(2,6-dimethylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C)c1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)15(18)17-13-9-4-3-8-12(13)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFUPQKPGHVRJJQQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds3

About 2-[(2,6-dimethylbenzoyl)amino]benzoic acid

2-[(2,6-dimethylbenzoyl)amino]benzoic acid (PubChem CID 107999955) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(2,6-dimethylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylbenzoyl)amino]benzoic acid
PubChem CID107999955
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[(2,6-dimethylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C)c1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)15(18)17-13-9-4-3-8-12(13)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFUPQKPGHVRJJQQ-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-[(2,6-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

2-amino-6-methyl-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574320
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
CID 163528026
CID 170843062
CID 170843062
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2,6-dimethylbenzoyl)amino]benzoic acid (CID 107999955) is 2-[(2,6-dimethylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,6-dimethylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2,6-dimethylbenzoyl)amino]benzoic acid is Cc1cccc(C)c1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylbenzoyl)amino]benzoic acid?
The InChIKey is FUPQKPGHVRJJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)15(18)17-13-9-4-3-8-12(13)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,6-dimethylbenzoyl)amino]benzoic acid?
2-[(2,6-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-[(2,6-dimethylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 107999955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).