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

C14H9ClFNO4 — CID 107013493

IUPAC2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(F)cc1O
InChIInChI=1S/C14H9ClFNO4/c15-11-6-8(2-4-9(11)14(20)21)17-13(19)10-3-1-7(16)5-12(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyQYUQORDVNUSRGA-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.14
Rot. Bonds3

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

2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107013493) has the molecular formula C14H9ClFNO4 and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
PubChem CID107013493
Molecular FormulaC14H9ClFNO4
Molecular Weight309.68 g/mol
Exact Mass309.02
IUPAC Name2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(F)cc1O
InChIInChI=1S/C14H9ClFNO4/c15-11-6-8(2-4-9(11)14(20)21)17-13(19)10-3-1-7(16)5-12(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyQYUQORDVNUSRGA-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-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-[4-[(2-chlorophenyl)-diphenylmethyl]phenyl]-4-fluoro-2-hydroxybenzamide
CID 174538663
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 154751012
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid (CID 107013493) is 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(F)cc1O.
What is the InChIKey of 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is QYUQORDVNUSRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO4/c15-11-6-8(2-4-9(11)14(20)21)17-13(19)10-3-1-7(16)5-12(10)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid?
2-chloro-4-[(4-fluoro-2-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 2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107013493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).