2-bromo-N-[4-(4-chlorophenoxy)phenyl]-2-phenylacetamide

• ChemBase ID: 84223
• Molecular Formular: C20H15BrClNO2
• Molecular Mass: 416.6956
• Monoisotopic Mass: 414.99746841
• SMILES: N(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C(c1ccccc1)Br
• Canonical SMILES: O=C(C(c1ccccc1)Br)Nc1ccc(cc1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C20H15BrClNO2/c21-19(14-4-2-1-3-5-14)20(24)23-16-8-12-18(13-9-16)25-17-10-6-15(22)7-11-17/h1-13,19H,(H,23,24)
• InChIKey: XGLQPIGNKJEZEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-[4-(4-chlorophenoxy)phenyl]-2-phenylacetamide
• IUPAC Traditional name: 2-bromo-N-[4-(4-chlorophenoxy)phenyl]-2-phenylacetamide
• Synonyms: N1-[4-(4-chlorophenoxy)phenyl]-2-bromo-2-phenylacetamide

Database IDs

• MDL Number: MFCD00124859
• PubChem SID: 162071339
• PubChem CID: 2781684

CALCULATED PROPERTIES

• Acid pKa: 13.674488
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.9745564
• LogD (pH = 7.4): 5.9745564
• Log P: 5.9745564
• Molar Refractivity: 104.0612 cm^3
• Polarizability: 39.6205 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false