N-benzyl-2-chloro-N-(2-methoxyethyl)acetamide

• ChemBase ID: 251511
• Molecular Formular: C12H16ClNO2
• Molecular Mass: 241.71394
• Monoisotopic Mass: 241.08695644
• SMILES: C(=O)(N(Cc1ccccc1)CCOC)CCl
• Canonical SMILES: COCCN(C(=O)CCl)Cc1ccccc1
• InChI: InChI=1S/C12H16ClNO2/c1-16-8-7-14(12(15)9-13)10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
• InChIKey: BUWPJFVXZNIDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08444112
• PubChem SID: 164307421
• PubChem CID: 9291149

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6319052
• LogD (pH = 7.4): 1.6319052
• Log P: 1.6319052
• Molar Refractivity: 64.6686 cm^3
• Polarizability: 25.108166 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.948

Product Information

• Purity: 95%