2-amino-5-(3,4-dichlorophenoxy)benzoic acid

C13H9Cl2NO3 — CID 61000632

IUPAC2-amino-5-(3,4-dichlorophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-10-3-1-8(6-11(10)15)19-7-2-4-12(16)9(5-7)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyCURNZSCHNJIIGL-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.07
Rot. Bonds3

About 2-amino-5-(3,4-dichlorophenoxy)benzoic acid

2-amino-5-(3,4-dichlorophenoxy)benzoic acid (PubChem CID 61000632) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-amino-5-(3,4-dichlorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(3,4-dichlorophenoxy)benzoic acid
PubChem CID61000632
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name2-amino-5-(3,4-dichlorophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-10-3-1-8(6-11(10)15)19-7-2-4-12(16)9(5-7)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyCURNZSCHNJIIGL-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 ≤ 500298.13
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-5-(3,4-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-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
2-amino-5-(4-bromo-3-methylphenoxy)benzoic acid
CID 83134573
2-amino-5-[4-(4-amino-3-carboxyphenoxy)-2,3,5,6-tetrafluorophenoxy]benzoic acid;benzene
CID 158765392
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
2-amino-5-(3,5-dichlorophenoxy)benzamide
CID 55148858
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
CID 60986562

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dichlorophenoxy)benzoic acid?
The IUPAC name of 2-amino-5-(3,4-dichlorophenoxy)benzoic acid (CID 61000632) is 2-amino-5-(3,4-dichlorophenoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(3,4-dichlorophenoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(3,4-dichlorophenoxy)benzoic acid is Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(3,4-dichlorophenoxy)benzoic acid?
The InChIKey is CURNZSCHNJIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-10-3-1-8(6-11(10)15)19-7-2-4-12(16)9(5-7)13(17)18/h1-6H,16H2,(H,17,18).
What are the key properties of 2-amino-5-(3,4-dichlorophenoxy)benzoic acid?
2-amino-5-(3,4-dichlorophenoxy)benzoic acid has a molecular weight of 298.13 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-5-(3,4-dichlorophenoxy)benzoic acid is sourced from PubChem (CID 61000632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).