2-amino-N-(2,5-dichlorophenyl)acetamide hydrochloride

• ChemBase ID: 233307
• Molecular Formular: C8H9Cl3N2O
• Molecular Mass: 255.52886
• Monoisotopic Mass: 253.97804596
• SMILES: c1(NC(=O)CN)cc(ccc1Cl)Cl.Cl
• Canonical SMILES: NCC(=O)Nc1cc(Cl)ccc1Cl.Cl
• InChI: InChI=1S/C8H8Cl2N2O.ClH/c9-5-1-2-6(10)7(3-5)12-8(13)4-11;/h1-3H,4,11H2,(H,12,13);1H
• InChIKey: YXKHRBUZSNWPHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,5-dichlorophenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2,5-dichlorophenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(2,5-dichlorophenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447120
• PubChem SID: 164289217
• PubChem CID: 20847942

CALCULATED PROPERTIES

• Acid pKa: 12.069136
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.87810445
• LogD (pH = 7.4): 0.81620437
• Log P: 1.4949157
• Molar Refractivity: 53.8903 cm^3
• Polarizability: 20.547756 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 308 - 310°C
• Hydrophobicity(logP): 1.174

Product Information

• Purity: 95%
• Salt Data: HCl