4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid

C15H12FNO4 — CID 115298490

IUPAC4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(F)ccc2O)ccc1C(=O)O
InChIInChI=1S/C15H12FNO4/c1-8-6-10(3-4-11(8)15(20)21)17-14(19)12-7-9(16)2-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyINRJQOWKFSCUAH-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

About 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid

4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid (PubChem CID 115298490) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
PubChem CID115298490
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(F)ccc2O)ccc1C(=O)O
InChIInChI=1S/C15H12FNO4/c1-8-6-10(3-4-11(8)15(20)21)17-14(19)12-7-9(16)2-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyINRJQOWKFSCUAH-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

N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 115298806
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid (CID 115298490) is 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid is Cc1cc(NC(=O)c2cc(F)ccc2O)ccc1C(=O)O.
What is the InChIKey of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is INRJQOWKFSCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-6-10(3-4-11(8)15(20)21)17-14(19)12-7-9(16)2-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid?
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-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-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 115298490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).