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

C14H10FNO4 — CID 63190129

IUPAC3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C14H10FNO4/c15-10-7-8(14(19)20)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyOPSGKCUSAJXRNS-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.48
Rot. Bonds3

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

3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 63190129) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
PubChem CID63190129
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C14H10FNO4/c15-10-7-8(14(19)20)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyOPSGKCUSAJXRNS-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

4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63117270
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 63189731
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
3-[(2-hydroxybenzoyl)amino]-4-(pyridine-2-carbonylamino)benzoic acid
CID 154791964
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid (CID 63190129) is 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccccc2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is OPSGKCUSAJXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-10-7-8(14(19)20)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid?
3-fluoro-4-[(2-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-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 63190129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).