2-chloro-N-(4-methoxyphenyl)-2-phenylacetamide

• ChemBase ID: 251820
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: C(=O)(Nc1ccc(cc1)OC)C(c1ccccc1)Cl
• Canonical SMILES: COc1ccc(cc1)NC(=O)C(c1ccccc1)Cl
• InChI: InChI=1S/C15H14ClNO2/c1-19-13-9-7-12(8-10-13)17-15(18)14(16)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,17,18)
• InChIKey: MYZSSOCBQJYQNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-methoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(4-methoxyphenyl)-2-phenylacetamide
• Synonyms: 2-chloro-N-(4-methoxyphenyl)-2-phenylacetamide

Database IDs

• CAS Number: 10295-48-4
• MDL Number: MFCD00510889
• PubChem SID: 164307730
• PubChem CID: 16227025

CALCULATED PROPERTIES

• Acid pKa: 13.613639
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5270581
• LogD (pH = 7.4): 3.527058
• Log P: 3.5270581
• Molar Refractivity: 76.4953 cm^3
• Polarizability: 29.135891 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 3.587

Product Information

• Purity: 95%