3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid

C14H9ClFNO4 — CID 104832980

IUPAC3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFNO4/c15-9-6-7(4-5-10(9)16)13(19)17-11-3-1-2-8(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyWFPNLTYGYOYSAH-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.14
Rot. Bonds3

About 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid

3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 104832980) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID104832980
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFNO4/c15-9-6-7(4-5-10(9)16)13(19)17-11-3-1-2-8(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyWFPNLTYGYOYSAH-UHFFFAOYSA-N
XLogP3.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.14
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-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832839
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
3-chloro-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 82879237
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid (CID 104832980) is 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is WFPNLTYGYOYSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-9-6-7(4-5-10(9)16)13(19)17-11-3-1-2-8(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 309.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104832980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).