2-chloro-N-(cyclobutylmethyl)acetamide

• ChemBase ID: 272374
• Molecular Formular: C7H12ClNO
• Molecular Mass: 161.62928
• Monoisotopic Mass: 161.06074169
• SMILES: C(=O)(NCC1CCC1)CCl
• Canonical SMILES: ClCC(=O)NCC1CCC1
• InChI: InChI=1S/C7H12ClNO/c8-4-7(10)9-5-6-2-1-3-6/h6H,1-5H2,(H,9,10)
• InChIKey: IFFTTXLMPIOZEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(cyclobutylmethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(cyclobutylmethyl)acetamide
• Synonyms: 2-chloro-N-(cyclobutylmethyl)acetamide

Database IDs

• MDL Number: MFCD11634955
• PubChem SID: 164328284
• PubChem CID: 43298711

CALCULATED PROPERTIES

• Acid pKa: 13.255084
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9558775
• LogD (pH = 7.4): 0.95587695
• Log P: 0.9558775
• Molar Refractivity: 40.6588 cm^3
• Polarizability: 15.967067 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.067

Product Information

• Purity: 95%