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

C13H9Cl2NO3 — CID 113419891

IUPAC2-amino-4-(2,4-dichlorophenoxy)benzoic acid
SMILESNc1cc(Oc2ccc(Cl)cc2Cl)ccc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-7-1-4-12(10(15)5-7)19-8-2-3-9(13(17)18)11(16)6-8/h1-6H,16H2,(H,17,18)
InChIKeyCSNKHNILTWDQST-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.07
Rot. Bonds3

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

2-amino-4-(2,4-dichlorophenoxy)benzoic acid (PubChem CID 113419891) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenoxy)benzoic acid
PubChem CID113419891
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-amino-4-(2,4-dichlorophenoxy)benzoic acid
SMILESNc1cc(Oc2ccc(Cl)cc2Cl)ccc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-7-1-4-12(10(15)5-7)19-8-2-3-9(13(17)18)11(16)6-8/h1-6H,16H2,(H,17,18)
InChIKeyCSNKHNILTWDQST-UHFFFAOYSA-N
XLogP4.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2,4-dichlorophenoxy)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

2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
CID 771613
2-cyano-5-(2,4-dichlorophenoxy)benzoic acid
CID 57003483
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
2-amino-4-(4-cyano-2-fluorophenoxy)benzoic acid
CID 107667496
2-amino-4-(2-phenylphenoxy)benzoic acid
CID 175030921
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenoxy)benzoic acid?
The IUPAC name of 2-amino-4-(2,4-dichlorophenoxy)benzoic acid (CID 113419891) is 2-amino-4-(2,4-dichlorophenoxy)benzoic acid.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenoxy)benzoic acid?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenoxy)benzoic acid is Nc1cc(Oc2ccc(Cl)cc2Cl)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenoxy)benzoic acid?
The InChIKey is CSNKHNILTWDQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-7-1-4-12(10(15)5-7)19-8-2-3-9(13(17)18)11(16)6-8/h1-6H,16H2,(H,17,18).
What are the key properties of 2-amino-4-(2,4-dichlorophenoxy)benzoic acid?
2-amino-4-(2,4-dichlorophenoxy)benzoic acid has a molecular weight of 298.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenoxy)benzoic acid is sourced from PubChem (CID 113419891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).