2,2-bis(4-fluorophenyl)-2-phenylacetamide

• ChemBase ID: 129441
• Molecular Formular: C20H15F2NO
• Molecular Mass: 323.3360064
• Monoisotopic Mass: 323.11217055
• SMILES: c1ccc(cc1)C(c1ccc(cc1)F)(c1ccc(cc1)F)C(=O)N
• Canonical SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
• InChI: InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
• InChIKey: SCTZUZTYRMOMKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(4-fluorophenyl)-2-phenylacetamide
• IUPAC Traditional name: senicapoc
• Synonyms: Senicapoc

Database IDs

• CAS Number: 289656-45-7
• PubChem SID: 162223735
• PubChem CID: 216327
• KEGG ID: D06640
• Wikipedia Title: Senicapoc

CALCULATED PROPERTIES

• Acid pKa: 14.57396
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4560637
• LogD (pH = 7.4): 4.4560637
• Log P: 4.4560637
• Molar Refractivity: 89.7642 cm^3
• Polarizability: 33.70029 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true