3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid

C14H10FNO4 — CID 104832806

IUPAC3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccccc1F
InChIInChI=1S/C14H10FNO4/c15-10-6-2-1-4-8(10)13(18)16-11-7-3-5-9(12(11)17)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyQRBQHUVGOFKGOF-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.48
Rot. Bonds3

About 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid

3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 104832806) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID104832806
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccccc1F
InChIInChI=1S/C14H10FNO4/c15-10-6-2-1-4-8(10)13(18)16-11-7-3-5-9(12(11)17)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyQRBQHUVGOFKGOF-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

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
CID 113458385
2-hydroxy-3-(prop-2-ynoylamino)benzoic acid
CID 104832869
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 136701768

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid (CID 104832806) is 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is QRBQHUVGOFKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-10-6-2-1-4-8(10)13(18)16-11-7-3-5-9(12(11)17)14(19)20/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic 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-fluorobenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104832806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).