2-bromo-N-(4-ethoxyphenyl)-2-phenylacetamide

• ChemBase ID: 83941
• Molecular Formular: C16H16BrNO2
• Molecular Mass: 334.20774
• Monoisotopic Mass: 333.03644076
• SMILES: N(c1ccc(cc1)OCC)C(=O)C(c1ccccc1)Br
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)C(c1ccccc1)Br
• InChI: InChI=1S/C16H16BrNO2/c1-2-20-14-10-8-13(9-11-14)18-16(19)15(17)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,18,19)
• InChIKey: VPSXKDJHWLAWAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-ethoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-bromo-N-(4-ethoxyphenyl)-2-phenylacetamide
• Synonyms: 2-bromo-N-(4-ethoxyphenyl)-2-phenylacetamide

Database IDs

• MDL Number: MFCD01314092
• PubChem SID: 162071057
• PubChem CID: 2781157

CALCULATED PROPERTIES

• Acid pKa: 13.798958
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.069361
• LogD (pH = 7.4): 4.069361
• Log P: 4.069361
• Molar Refractivity: 84.2274 cm^3
• Polarizability: 31.79294 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true