2-chloro-N-methyl-N-(4-methylcyclohexyl)acetamide

• ChemBase ID: 247859
• Molecular Formular: C10H18ClNO
• Molecular Mass: 203.70902
• Monoisotopic Mass: 203.10769188
• SMILES: N(C(=O)CCl)(C1CCC(CC1)C)C
• Canonical SMILES: ClCC(=O)N(C1CCC(CC1)C)C
• InChI: InChI=1S/C10H18ClNO/c1-8-3-5-9(6-4-8)12(2)10(13)7-11/h8-9H,3-7H2,1-2H3
• InChIKey: AUZBNTUEPYUUHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methyl-N-(4-methylcyclohexyl)acetamide
• IUPAC Traditional name: 2-chloro-N-methyl-N-(4-methylcyclohexyl)acetamide
• Synonyms: 2-chloro-N-methyl-N-(4-methylcyclohexyl)acetamide

Database IDs

• MDL Number: MFCD06655486
• PubChem SID: 164303769
• PubChem CID: 4962055

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0406973
• LogD (pH = 7.4): 2.0406973
• Log P: 2.0406973
• Molar Refractivity: 54.5753 cm^3
• Polarizability: 21.46201 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 2.361

Product Information

• Purity: 95%