N-benzyl-2-chloro-N-cyclopropylacetamide

• ChemBase ID: 260560
• Molecular Formular: C12H14ClNO
• Molecular Mass: 223.69866
• Monoisotopic Mass: 223.07639175
• SMILES: N(C1CC1)(C(=O)CCl)Cc1ccccc1
• Canonical SMILES: ClCC(=O)N(C1CC1)Cc1ccccc1
• InChI: InChI=1S/C12H14ClNO/c13-8-12(15)14(11-6-7-11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
• InChIKey: QYVHZDXCXHVJKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11109088
• PubChem SID: 164316470
• PubChem CID: 33751364

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1444452
• LogD (pH = 7.4): 2.1444452
• Log P: 2.1444452
• Molar Refractivity: 60.8363 cm^3
• Polarizability: 23.674814 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.933

Product Information

• Purity: 95%