2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid

C15H12FNO4 — CID 60825323

IUPAC2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)cc1O
InChIInChI=1S/C15H12FNO4/c1-8-2-3-9(6-13(8)18)14(19)17-10-4-5-12(16)11(7-10)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyNAPYLXQACPRECX-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

About 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid

2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid (PubChem CID 60825323) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
PubChem CID60825323
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)cc1O
InChIInChI=1S/C15H12FNO4/c1-8-2-3-9(6-13(8)18)14(19)17-10-4-5-12(16)11(7-10)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyNAPYLXQACPRECX-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

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Related Compounds

2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid (CID 60825323) is 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)cc1O.
What is the InChIKey of 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is NAPYLXQACPRECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-2-3-9(6-13(8)18)14(19)17-10-4-5-12(16)11(7-10)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic 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 2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 60825323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).