2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid

C15H13NO4 — CID 24700759

IUPAC2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cccc(O)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO4/c1-9-5-6-13(12(7-9)15(19)20)16-14(18)10-3-2-4-11(17)8-10/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyHPDJNBGQDWYACW-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.65
Rot. Bonds3

About 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid

2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid (PubChem CID 24700759) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
PubChem CID24700759
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cccc(O)c2)c(C(=O)O)c1
InChIInChI=1S/C15H13NO4/c1-9-5-6-13(12(7-9)15(19)20)16-14(18)10-3-2-4-11(17)8-10/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyHPDJNBGQDWYACW-UHFFFAOYSA-N
XLogP2.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
2-[(3-acetyloxybenzoyl)amino]-5-methylbenzoic acid
CID 142866220
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
5-[[3-carboxy-4-[(3-methylbenzoyl)amino]phenyl]methyl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 131976762
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-5-methylbenzoic acid
CID 17172311
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid (CID 24700759) is 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2cccc(O)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid?
The InChIKey is HPDJNBGQDWYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-5-6-13(12(7-9)15(19)20)16-14(18)10-3-2-4-11(17)8-10/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid?
2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxybenzoyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 24700759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).