2-amino-N-(4-chlorophenyl)acetamide hydrochloride

• ChemBase ID: 262399
• Molecular Formular: C8H10Cl2N2O
• Molecular Mass: 221.0838
• Monoisotopic Mass: 220.01701831
• SMILES: C(=O)(Nc1ccc(Cl)cc1)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C8H9ClN2O.ClH/c9-6-1-3-7(4-2-6)11-8(12)5-10;/h1-4H,5,10H2,(H,11,12);1H
• InChIKey: OTKYMDQCHKZDHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-chlorophenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(4-chlorophenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(4-chlorophenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD12913153
• PubChem SID: 164318309
• PubChem CID: 45792061

CALCULATED PROPERTIES

• Acid pKa: 13.469078
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4821869
• LogD (pH = 7.4): 0.21221823
• Log P: 0.890871
• Molar Refractivity: 49.0855 cm^3
• Polarizability: 18.610453 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 1.221

Product Information

• Purity: 95%