4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid

C15H12FNO4 — CID 107674680

IUPAC4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H12FNO4/c1-8-6-9(15(20)21)2-5-13(8)17-14(19)11-4-3-10(18)7-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyMWXTZXLMDYESRP-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

About 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid

4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid (PubChem CID 107674680) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
PubChem CID107674680
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H12FNO4/c1-8-6-9(15(20)21)2-5-13(8)17-14(19)11-4-3-10(18)7-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyMWXTZXLMDYESRP-UHFFFAOYSA-N
XLogP2.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic 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

3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid (CID 107674680) is 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is MWXTZXLMDYESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-6-9(15(20)21)2-5-13(8)17-14(19)11-4-3-10(18)7-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid?
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 107674680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).