2-[4-(2-chloroacetyl)phenoxy]acetamide

• ChemBase ID: 276672
• Molecular Formular: C10H10ClNO3
• Molecular Mass: 227.6443
• Monoisotopic Mass: 227.03492087
• SMILES: C(=O)(COc1ccc(C(=O)CCl)cc1)N
• Canonical SMILES: ClCC(=O)c1ccc(cc1)OCC(=O)N
• InChI: InChI=1S/C10H10ClNO3/c11-5-9(13)7-1-3-8(4-2-7)15-6-10(12)14/h1-4H,5-6H2,(H2,12,14)
• InChIKey: QVKCXSXNYYVJGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-chloroacetyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[4-(2-chloroacetyl)phenoxy]acetamide
• Synonyms: 2-[4-(2-chloroacetyl)phenoxy]acetamide

Database IDs

• MDL Number: MFCD19382267
• PubChem SID: 164332582
• PubChem CID: 54594298

CALCULATED PROPERTIES

• Acid pKa: 14.41179
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.58160657
• LogD (pH = 7.4): 0.5816066
• Log P: 0.58160657
• Molar Refractivity: 55.584 cm^3
• Polarizability: 21.532192 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 0.409

Product Information

• Purity: 95%