4-chloro-N-cyclohexyl-N-methylbutanamide

• ChemBase ID: 301100
• Molecular Formular: C11H20ClNO
• Molecular Mass: 217.7356
• Monoisotopic Mass: 217.12334195
• SMILES: CN(C1CCCCC1)C(=O)CCCCl
• Canonical SMILES: ClCCCC(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C11H20ClNO/c1-13(11(14)8-5-9-12)10-6-3-2-4-7-10/h10H,2-9H2,1H3
• InChIKey: HQWFWBNJUPPCDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-cyclohexyl-N-methylbutanamide
• IUPAC Traditional name: 4-chloro-N-cyclohexyl-N-methylbutanamide
• Synonyms: 4-Chloro-N-cyclohexyl-N-methylbutyramide

Database IDs

• MDL Number: MFCD09741375

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2793517
• LogD (pH = 7.4): 2.2793522
• Log P: 2.2793522
• Molar Refractivity: 59.4811 cm^3
• Polarizability: 23.295069 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%