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

C14H10FNO4 — CID 107674682

IUPAC3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C14H10FNO4/c15-12-7-10(17)4-5-11(12)13(18)16-9-3-1-2-8(6-9)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyILUWBUGSVMULJR-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.48
Rot. Bonds3

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

3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107674682) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
PubChem CID107674682
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C14H10FNO4/c15-12-7-10(17)4-5-11(12)13(18)16-9-3-1-2-8(6-9)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyILUWBUGSVMULJR-UHFFFAOYSA-N
XLogP2.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
CID 103939983
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
3-[(2,3,6-trifluorobenzoyl)amino]benzoic acid;hydrochloride
CID 67278416
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (CID 107674682) is 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2ccc(O)cc2F)c1.
What is the InChIKey of 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is ILUWBUGSVMULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-12-7-10(17)4-5-11(12)13(18)16-9-3-1-2-8(6-9)14(19)20/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 275.24 g/mol, XLogP of 2.48, 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]benzoic acid is sourced from PubChem (CID 107674682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).