2-chloro-N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-N-methylacetamide

• ChemBase ID: 251456
• Molecular Formular: C14H13Cl2NO2
• Molecular Mass: 298.16452
• Monoisotopic Mass: 297.03233402
• SMILES: c1(oc(cc1)CN(C(=O)CCl)C)c1ccc(cc1)Cl
• Canonical SMILES: ClCC(=O)N(Cc1ccc(o1)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C14H13Cl2NO2/c1-17(14(18)8-15)9-12-6-7-13(19-12)10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3
• InChIKey: CQGJQPJILYDHCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-N-methylacetamide
• Synonyms: 2-chloro-N-{[5-(4-chlorophenyl)-2-furyl]methyl}-N-methylacetamide

Database IDs

• MDL Number: MFCD07838466
• PubChem SID: 164307366
• PubChem CID: 8893234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9103985
• LogD (pH = 7.4): 2.9103985
• Log P: 2.9103985
• Molar Refractivity: 75.8345 cm^3
• Polarizability: 30.409529 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 195°C
• Hydrophobicity(logP): 3.566

Product Information

• Purity: 95%