2-chloro-N-(cyclohexylmethyl)-N-methylacetamide

• ChemBase ID: 260559
• Molecular Formular: C10H18ClNO
• Molecular Mass: 203.70902
• Monoisotopic Mass: 203.10769188
• SMILES: C(=O)(N(CC1CCCCC1)C)CCl
• Canonical SMILES: ClCC(=O)N(CC1CCCCC1)C
• InChI: InChI=1S/C10H18ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-8H2,1H3
• InChIKey: KFSDXOJJSMRMKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide
• Synonyms: 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD12762660
• PubChem SID: 164316469
• PubChem CID: 50988963

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0686908
• LogD (pH = 7.4): 2.0686908
• Log P: 2.0686908
• Molar Refractivity: 54.7575 cm^3
• Polarizability: 21.46201 Å^3
• Polar Surface Area: 20.31 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.461

Product Information

• Purity: 95%