N-benzyl-2-chloro-N-ethylacetamide

• ChemBase ID: 229281
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C(=O)(N(Cc1ccccc1)CC)CCl
• Canonical SMILES: CCN(C(=O)CCl)Cc1ccccc1
• InChI: InChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
• InChIKey: OFUGAFLNLROZAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-ethylacetamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-ethylacetamide
• Synonyms: N-Benzyl-2-chloro-N-ethyl-acetamide

Database IDs

• MDL Number: MFCD03030354
• PubChem SID: 164285191
• PubChem CID: 2392406

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0356886
• LogD (pH = 7.4): 2.0356886
• Log P: 2.0356886
• Molar Refractivity: 58.3737 cm^3
• Polarizability: 22.560266 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 2.108

Product Information

• Purity: 95%