4-chloro-N-methyl-N-phenylbutanamide

• ChemBase ID: 300410
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: ClCCCC(=O)N(c1ccccc1)C
• Canonical SMILES: ClCCCC(=O)N(c1ccccc1)C
• InChI: InChI=1S/C11H14ClNO/c1-13(11(14)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
• InChIKey: ONFLCMFDSFTMPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-methyl-N-phenylbutanamide
• IUPAC Traditional name: 4-chloro-N-methyl-N-phenylbutanamide
• Synonyms: 4-Chloro-N-methyl-N-phenylbutyramide

Database IDs

• MDL Number: MFCD07751765

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.13804
• LogD (pH = 7.4): 2.13804
• Log P: 2.13804
• Molar Refractivity: 58.2445 cm^3
• Polarizability: 22.548119 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%