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

C15H12FNO4 — CID 107793042

IUPAC2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
SMILESCc1c(O)cccc1C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H12FNO4/c1-8-10(3-2-4-13(8)18)14(19)17-9-5-6-11(15(20)21)12(16)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyXMJONSFETQWRNK-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

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

2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid (PubChem CID 107793042) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
PubChem CID107793042
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
SMILESCc1c(O)cccc1C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H12FNO4/c1-8-10(3-2-4-13(8)18)14(19)17-9-5-6-11(15(20)21)12(16)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyXMJONSFETQWRNK-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-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid (CID 107793042) is 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid is Cc1c(O)cccc1C(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
The InChIKey is XMJONSFETQWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-10(3-2-4-13(8)18)14(19)17-9-5-6-11(15(20)21)12(16)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid?
2-fluoro-4-[(3-hydroxy-2-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-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 107793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).