N-benzyl-2-chloro-N-(1-cyclopropylethyl)acetamide

• ChemBase ID: 251393
• Molecular Formular: C14H18ClNO
• Molecular Mass: 251.75182
• Monoisotopic Mass: 251.10769188
• SMILES: N(C(=O)CCl)(C(C1CC1)C)Cc1ccccc1
• Canonical SMILES: ClCC(=O)N(C(C1CC1)C)Cc1ccccc1
• InChI: InChI=1S/C14H18ClNO/c1-11(13-7-8-13)16(14(17)9-15)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
• InChIKey: ZDRPERHQZYAPHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-(1-cyclopropylethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-(1-cyclopropylethyl)acetamide
• Synonyms: N-benzyl-2-chloro-N-(1-cyclopropylethyl)acetamide

Database IDs

• MDL Number: MFCD07690523
• PubChem SID: 164307303
• PubChem CID: 16226855

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.876033
• LogD (pH = 7.4): 2.876033
• Log P: 2.876033
• Molar Refractivity: 69.9859 cm^3
• Polarizability: 27.353945 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226 - 229°C
• Hydrophobicity(logP): 2.861

Product Information

• Purity: 95%