N-benzyl-2-chloro-N-methylacetamide

• ChemBase ID: 117780
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: C(=O)(N(Cc1ccccc1)C)CCl
• Canonical SMILES: ClCC(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C10H12ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
• InChIKey: CRKXYFYKAPEYAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-methylacetamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-methylacetamide
• Synonyms: N-benzyl-2-chloro-N-methylacetamide

Database IDs

• MDL Number: MFCD00297024
• PubChem SID: 162098051
• PubChem CID: 4639192

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6788807
• LogD (pH = 7.4): 1.6788807
• Log P: 1.6788807
• Molar Refractivity: 53.6251 cm^3
• Polarizability: 20.721876 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.956

Product Information

• Purity: 95+%