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

C15H12FNO4 — CID 103867338

IUPAC2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c1O
InChIInChI=1S/C15H12FNO4/c1-8-3-2-4-11(13(8)18)14(19)17-9-5-6-10(15(20)21)12(16)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyMRWDFFVXQPEHOI-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

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

2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid (PubChem CID 103867338) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
PubChem CID103867338
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c1O
InChIInChI=1S/C15H12FNO4/c1-8-3-2-4-11(13(8)18)14(19)17-9-5-6-10(15(20)21)12(16)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyMRWDFFVXQPEHOI-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-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9460457
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid (CID 103867338) is 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid is Cc1cccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)c1O.
What is the InChIKey of 2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
The InChIKey is MRWDFFVXQPEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-3-2-4-11(13(8)18)14(19)17-9-5-6-10(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-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid?
2-fluoro-4-[(2-hydroxy-3-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-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 103867338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).