2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid

C16H15NO4 — CID 82810542

IUPAC2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2cccc(O)c2C)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-9-5-3-7-12(14(9)16(20)21)17-15(19)11-6-4-8-13(18)10(11)2/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyYMAIGSIOAMBMTA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.96
Rot. Bonds3

About 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid

2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid (PubChem CID 82810542) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
PubChem CID82810542
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2cccc(O)c2C)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-9-5-3-7-12(14(9)16(20)21)17-15(19)11-6-4-8-13(18)10(11)2/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyYMAIGSIOAMBMTA-UHFFFAOYSA-N
XLogP2.96
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
CID 104669683
2-acetamido-6-methylbenzoic acid
CID 2801400
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylbenzamide
CID 82828984
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
CID 107986716

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid (CID 82810542) is 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)c2cccc(O)c2C)c1C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid?
The InChIKey is YMAIGSIOAMBMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-5-3-7-12(14(9)16(20)21)17-15(19)11-6-4-8-13(18)10(11)2/h3-8,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid?
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 82810542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).