2-bromo-N-(2,6-diethylphenyl)-2-phenylacetamide

• ChemBase ID: 84195
• Molecular Formular: C18H20BrNO
• Molecular Mass: 346.2615
• Monoisotopic Mass: 345.07282627
• SMILES: N(c1c(cccc1CC)CC)C(=O)C(c1ccccc1)Br
• Canonical SMILES: CCc1cccc(c1NC(=O)C(c1ccccc1)Br)CC
• InChI: InChI=1S/C18H20BrNO/c1-3-13-11-8-12-14(4-2)17(13)20-18(21)16(19)15-9-6-5-7-10-15/h5-12,16H,3-4H2,1-2H3,(H,20,21)
• InChIKey: NZVZWMYNXZUEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(2,6-diethylphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-bromo-N-(2,6-diethylphenyl)-2-phenylacetamide
• Synonyms: N1-(2,6-diethylphenyl)-2-bromo-2-phenylacetamide

Database IDs

• MDL Number: MFCD00124747
• PubChem SID: 162071311
• PubChem CID: 2781627

CALCULATED PROPERTIES

• Acid pKa: 13.481042
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.786205
• LogD (pH = 7.4): 5.7862043
• Log P: 5.786205
• Molar Refractivity: 92.3 cm^3
• Polarizability: 34.59654 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false