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

• ChemBase ID: 124248
• Molecular Formular: C8H10Cl2N2O
• Molecular Mass: 221.0838
• Monoisotopic Mass: 220.01701831
• SMILES: N(c1c(Cl)cccc1)C(=O)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccccc1Cl.Cl
• InChI: InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-2-4-7(6)11-8(12)5-10;/h1-4H,5,10H2,(H,11,12);1H
• InChIKey: UVLFPBLFXXXXNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218601
• PubChem CID: 51051964

CALCULATED PROPERTIES

• Acid pKa: 12.230594
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4821553
• LogD (pH = 7.4): 0.21218167
• Log P: 0.890871
• Molar Refractivity: 49.0855 cm^3
• Polarizability: 18.626532 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl