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

C14H9ClFNO4 — CID 107674694

IUPAC4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C14H9ClFNO4/c15-10-4-1-7(14(20)21)5-12(10)17-13(19)9-3-2-8(18)6-11(9)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyGRBJXEAZYHEKSD-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.14
Rot. Bonds3

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

4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107674694) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
PubChem CID107674694
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccc(O)cc2F)c1
InChIInChI=1S/C14H9ClFNO4/c15-10-4-1-7(14(20)21)5-12(10)17-13(19)9-3-2-8(18)6-11(9)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyGRBJXEAZYHEKSD-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

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Related Compounds

3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (CID 107674694) is 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(O)cc2F)c1.
What is the InChIKey of 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is GRBJXEAZYHEKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-10-4-1-7(14(20)21)5-12(10)17-13(19)9-3-2-8(18)6-11(9)16/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic 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 4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107674694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).