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

C14H10ClNO4 — CID 61398494

IUPAC2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C14H10ClNO4/c15-12-7-9(3-6-11(12)14(19)20)16-13(18)8-1-4-10(17)5-2-8/h1-7,17H,(H,16,18)(H,19,20)
InChIKeySLXIDFJCCGRNCO-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.00
Rot. Bonds3

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

2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 61398494) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
PubChem CID61398494
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C14H10ClNO4/c15-12-7-9(3-6-11(12)14(19)20)16-13(18)8-1-4-10(17)5-2-8/h1-7,17H,(H,16,18)(H,19,20)
InChIKeySLXIDFJCCGRNCO-UHFFFAOYSA-N
XLogP3.00
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560
4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
CID 871568
N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
CID 54510181
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
CID 28675057
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid (CID 61398494) is 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is SLXIDFJCCGRNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-12-7-9(3-6-11(12)14(19)20)16-13(18)8-1-4-10(17)5-2-8/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid?
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 291.69 g/mol, XLogP of 3.00, 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-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 61398494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).