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

• ChemBase ID: 278535
• Molecular Formular: C8H10Cl2N2O
• Molecular Mass: 221.0838
• Monoisotopic Mass: 220.01701831
• SMILES: C(=O)(C(c1ccc(cc1)Cl)N)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)Cl)C(=O)N.Cl
• InChI: InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H2,11,12);1H
• InChIKey: YYKYHFKSMQDHDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20233476
• PubChem SID: 164334445
• PubChem CID: 13481124

CALCULATED PROPERTIES

• Acid pKa: 14.785594
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5491962
• LogD (pH = 7.4): 0.11651137
• Log P: 0.58605593
• Molar Refractivity: 46.9883 cm^3
• Polarizability: 18.618896 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 283 - 285°C
• Hydrophobicity(logP): 0.319

Product Information

• Purity: 95%