3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid

C14H9F2NO4 — CID 107264829

IUPAC3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H9F2NO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-5-7(14(20)21)1-2-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyGNRJKKAXIXVFNQ-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.62
Rot. Bonds3

About 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid

3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 107264829) has the molecular formula C14H9F2NO4 and a molecular weight of 293.23 g/mol. Its IUPAC name is 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID107264829
Molecular FormulaC14H9F2NO4
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H9F2NO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-5-7(14(20)21)1-2-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyGNRJKKAXIXVFNQ-UHFFFAOYSA-N
XLogP2.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753869
3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264755
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598
4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 108753851
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264990
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
CID 108753900
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid (CID 107264829) is 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is GNRJKKAXIXVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-5-7(14(20)21)1-2-12(11)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid?
3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid has a molecular weight of 293.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).