2-chloro-N-(2-ethoxyphenyl)-2-phenylacetamide

• ChemBase ID: 72436
• Molecular Formular: C16H16ClNO2
• Molecular Mass: 289.75674
• Monoisotopic Mass: 289.08695644
• SMILES: C(=O)(Nc1c(OCC)cccc1)C(c1ccccc1)Cl
• Canonical SMILES: CCOc1ccccc1NC(=O)C(c1ccccc1)Cl
• InChI: InChI=1S/C16H16ClNO2/c1-2-20-14-11-7-6-10-13(14)18-16(19)15(17)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,18,19)
• InChIKey: DXPVWTFFXLMQRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-ethoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(2-ethoxyphenyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-(2-ethoxyphenyl)-2-phenylacetamide

Database IDs

• PubChem SID: 162104190
• PubChem CID: 3566121

CALCULATED PROPERTIES

• Acid pKa: 11.76898
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8838658
• LogD (pH = 7.4): 3.8838484
• Log P: 3.883866
• Molar Refractivity: 81.2439 cm^3
• Polarizability: 30.977709 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT