5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid

C14H9F2NO4 — CID 115298431

IUPAC5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C14H9F2NO4/c15-7-1-3-11(9(5-7)14(20)21)17-13(19)10-6-8(16)2-4-12(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyXBDCWFUTIPEIIT-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.62
Rot. Bonds3

About 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid

5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 115298431) has the molecular formula C14H9F2NO4 and a molecular weight of 293.23 g/mol. Its IUPAC name is 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
PubChem CID115298431
Molecular FormulaC14H9F2NO4
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C14H9F2NO4/c15-7-1-3-11(9(5-7)14(20)21)17-13(19)10-6-8(16)2-4-12(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyXBDCWFUTIPEIIT-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

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Related Compounds

N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834726
N-(4-fluoro-2-iodophenyl)-2-hydroxy-5-iodobenzamide
CID 107731604
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid (CID 115298431) is 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1ccc(F)cc1C(=O)O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is XBDCWFUTIPEIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c15-7-1-3-11(9(5-7)14(20)21)17-13(19)10-6-8(16)2-4-12(10)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic 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 5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 115298431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).