N-(butan-2-yl)-N-butyl-2-chloroacetamide

• ChemBase ID: 251386
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: C(=O)(N(C(CC)C)CCCC)CCl
• Canonical SMILES: CCCCN(C(=O)CCl)C(CC)C
• InChI: InChI=1S/C10H20ClNO/c1-4-6-7-12(9(3)5-2)10(13)8-11/h9H,4-8H2,1-3H3
• InChIKey: ZEBKBIWGMKJWNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-N-butyl-2-chloroacetamide
• IUPAC Traditional name: N-butyl-2-chloro-N-(sec-butyl)acetamide
• Synonyms: N-butyl-N-(sec-butyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD07690494
• PubChem SID: 164307296
• PubChem CID: 16226854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.574212
• LogD (pH = 7.4): 2.574212
• Log P: 2.574212
• Molar Refractivity: 56.5775 cm^3
• Polarizability: 22.182611 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.765

Product Information

• Purity: 95%