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

C15H12FNO4 — CID 107674656

IUPAC3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H12FNO4/c1-8-2-3-9(15(20)21)6-13(8)17-14(19)11-5-4-10(18)7-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyWWXJURUDEPYICQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

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

3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid (PubChem CID 107674656) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
PubChem CID107674656
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H12FNO4/c1-8-2-3-9(15(20)21)6-13(8)17-14(19)11-5-4-10(18)7-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyWWXJURUDEPYICQ-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

4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590008
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid (CID 107674656) is 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid?
The InChIKey is WWXJURUDEPYICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-2-3-9(15(20)21)6-13(8)17-14(19)11-5-4-10(18)7-12(11)16/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid?
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-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 3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 107674656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).