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

C13H9Cl2NO3 — CID 115547178

IUPAC2-amino-3-(3,5-dichlorophenoxy)benzoic acid
SMILESNc1c(Oc2cc(Cl)cc(Cl)c2)cccc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyJPEFBOFWWIOFFP-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.07
Rot. Bonds3

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

2-amino-3-(3,5-dichlorophenoxy)benzoic acid (PubChem CID 115547178) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-amino-3-(3,5-dichlorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(3,5-dichlorophenoxy)benzoic acid
PubChem CID115547178
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name2-amino-3-(3,5-dichlorophenoxy)benzoic acid
SMILESNc1c(Oc2cc(Cl)cc(Cl)c2)cccc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyJPEFBOFWWIOFFP-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-3-(3,5-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-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
2-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 115547056
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
CID 115547310
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
3-(2-amino-4-chlorophenoxy)-2-chlorobenzoic acid
CID 125468152
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dichlorophenoxy)benzoic acid?
The IUPAC name of 2-amino-3-(3,5-dichlorophenoxy)benzoic acid (CID 115547178) is 2-amino-3-(3,5-dichlorophenoxy)benzoic acid.
What is the SMILES notation for 2-amino-3-(3,5-dichlorophenoxy)benzoic acid?
The canonical SMILES for 2-amino-3-(3,5-dichlorophenoxy)benzoic acid is Nc1c(Oc2cc(Cl)cc(Cl)c2)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(3,5-dichlorophenoxy)benzoic acid?
The InChIKey is JPEFBOFWWIOFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-7-4-8(15)6-9(5-7)19-11-3-1-2-10(12(11)16)13(17)18/h1-6H,16H2,(H,17,18).
What are the key properties of 2-amino-3-(3,5-dichlorophenoxy)benzoic acid?
2-amino-3-(3,5-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-3-(3,5-dichlorophenoxy)benzoic acid is sourced from PubChem (CID 115547178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).