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

C13H10Cl2N2O2 — CID 54888225

IUPAC2-amino-5-(2,3-dichloroanilino)benzoic acid
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)cc1C(=O)O
InChIInChI=1S/C13H10Cl2N2O2/c14-9-2-1-3-11(12(9)15)17-7-4-5-10(16)8(6-7)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyAPAUAYLIKWNNHL-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.02
Rot. Bonds3

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

2-amino-5-(2,3-dichloroanilino)benzoic acid (PubChem CID 54888225) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-amino-5-(2,3-dichloroanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,3-dichloroanilino)benzoic acid
PubChem CID54888225
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-amino-5-(2,3-dichloroanilino)benzoic acid
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)cc1C(=O)O
InChIInChI=1S/C13H10Cl2N2O2/c14-9-2-1-3-11(12(9)15)17-7-4-5-10(16)8(6-7)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyAPAUAYLIKWNNHL-UHFFFAOYSA-N
XLogP4.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-(2,3-dichloroanilino)benzoate
CID 63425312
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
2-amino-5-(3-chloro-2-fluoroanilino)benzamide
CID 55134954
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid
CID 79044019
2-amino-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 54887803
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
CID 65343667
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dichloroanilino)benzoic acid?
The IUPAC name of 2-amino-5-(2,3-dichloroanilino)benzoic acid (CID 54888225) is 2-amino-5-(2,3-dichloroanilino)benzoic acid.
What is the SMILES notation for 2-amino-5-(2,3-dichloroanilino)benzoic acid?
The canonical SMILES for 2-amino-5-(2,3-dichloroanilino)benzoic acid is Nc1ccc(Nc2cccc(Cl)c2Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2,3-dichloroanilino)benzoic acid?
The InChIKey is APAUAYLIKWNNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-9-2-1-3-11(12(9)15)17-7-4-5-10(16)8(6-7)13(18)19/h1-6,17H,16H2,(H,18,19).
What are the key properties of 2-amino-5-(2,3-dichloroanilino)benzoic acid?
2-amino-5-(2,3-dichloroanilino)benzoic acid has a molecular weight of 297.14 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dichloroanilino)benzoic acid is sourced from PubChem (CID 54888225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).