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

C14H9Cl2NO3 — CID 28667452

IUPAC2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2NO3/c15-9-3-1-2-8(6-9)13(18)17-10-4-5-11(14(19)20)12(16)7-10/h1-7H,(H,17,18)(H,19,20)
InChIKeyATTXBVCLMFZOCW-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.94
Rot. Bonds3

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

2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid (PubChem CID 28667452) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
PubChem CID28667452
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2NO3/c15-9-3-1-2-8(6-9)13(18)17-10-4-5-11(14(19)20)12(16)7-10/h1-7H,(H,17,18)(H,19,20)
InChIKeyATTXBVCLMFZOCW-UHFFFAOYSA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 110483619
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid (CID 28667452) is 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
The InChIKey is ATTXBVCLMFZOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-9-3-1-2-8(6-9)13(18)17-10-4-5-11(14(19)20)12(16)7-10/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid has a molecular weight of 310.14 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 28667452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).