4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid

C14H9Cl2NO4 — CID 106500157

IUPAC4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H9Cl2NO4/c15-7-1-3-9(14(20)21)12(5-7)17-13(19)10-6-8(18)2-4-11(10)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyWYZYIXCTCUUUEO-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.65
Rot. Bonds3

About 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid

4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid (PubChem CID 106500157) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
PubChem CID106500157
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H9Cl2NO4/c15-7-1-3-9(14(20)21)12(5-7)17-13(19)10-6-8(18)2-4-11(10)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyWYZYIXCTCUUUEO-UHFFFAOYSA-N
XLogP3.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
CID 61405727
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235
4-chloro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934159
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid (CID 106500157) is 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1cc(O)ccc1Cl.
What is the InChIKey of 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is WYZYIXCTCUUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-7-1-3-9(14(20)21)12(5-7)17-13(19)10-6-8(18)2-4-11(10)16/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid?
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 326.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 106500157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).