4-amino-2-(2,4-dichlorophenyl)benzoic acid

C13H9Cl2NO2 — CID 162623483

IUPAC4-amino-2-(2,4-dichlorophenyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-7-1-3-9(12(15)5-7)11-6-8(16)2-4-10(11)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyCQXBLYZMZMVIIZ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.94
Rot. Bonds2

About 4-amino-2-(2,4-dichlorophenyl)benzoic acid

4-amino-2-(2,4-dichlorophenyl)benzoic acid (PubChem CID 162623483) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-amino-2-(2,4-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2,4-dichlorophenyl)benzoic acid
PubChem CID162623483
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name4-amino-2-(2,4-dichlorophenyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-7-1-3-9(12(15)5-7)11-6-8(16)2-4-10(11)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyCQXBLYZMZMVIIZ-UHFFFAOYSA-N
XLogP3.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-(2,4-dichlorophenyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174558705
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
2-carbamoyl-5-chlorobenzoic acid
CID 57087443

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,4-dichlorophenyl)benzoic acid?
The IUPAC name of 4-amino-2-(2,4-dichlorophenyl)benzoic acid (CID 162623483) is 4-amino-2-(2,4-dichlorophenyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(2,4-dichlorophenyl)benzoic acid?
The canonical SMILES for 4-amino-2-(2,4-dichlorophenyl)benzoic acid is Nc1ccc(C(=O)O)c(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-amino-2-(2,4-dichlorophenyl)benzoic acid?
The InChIKey is CQXBLYZMZMVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-7-1-3-9(12(15)5-7)11-6-8(16)2-4-10(11)13(17)18/h1-6H,16H2,(H,17,18).
What are the key properties of 4-amino-2-(2,4-dichlorophenyl)benzoic acid?
4-amino-2-(2,4-dichlorophenyl)benzoic acid has a molecular weight of 282.13 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,4-dichlorophenyl)benzoic acid is sourced from PubChem (CID 162623483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).