2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide

• ChemBase ID: 311719
• Molecular Formular: C15H13ClINO2
• Molecular Mass: 401.62669
• Monoisotopic Mass: 400.96795434
• SMILES: N(c1c(cc(cc1)I)C)C(=O)COc1c(Cl)cccc1
• Canonical SMILES: O=C(Nc1ccc(cc1C)I)COc1ccccc1Cl
• InChI: InChI=1S/C15H13ClINO2/c1-10-8-11(17)6-7-13(10)18-15(19)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H,18,19)
• InChIKey: COHQNEUBKKNOGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
• IUPAC Traditional name: 2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
• Synonyms: 2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide

Database IDs

• CAS Number: 431885-12-0
• MDL Number: MFCD03140190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.77427
• LogD (pH = 7.4): 4.7742677
• Log P: 4.7742705
• Molar Refractivity: 90.0916 cm^3
• Polarizability: 34.275364 Å^3
• Polar Surface Area: 38.33 Å^2