2-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

• ChemBase ID: 251389
• Molecular Formular: C12H13ClFNO
• Molecular Mass: 241.6891232
• Monoisotopic Mass: 241.06696994
• SMILES: N(Cc1c(F)cccc1)(C1CC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)N(C1CC1)Cc1ccccc1F
• InChI: InChI=1S/C12H13ClFNO/c13-7-12(16)15(10-5-6-10)8-9-3-1-2-4-11(9)14/h1-4,10H,5-8H2
• InChIKey: FHACDHUPEDIQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-(2-fluorobenzyl)acetamide

Database IDs

• MDL Number: MFCD07690515
• PubChem SID: 164307299
• PubChem CID: 7131778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2871473
• LogD (pH = 7.4): 2.2871473
• Log P: 2.2871473
• Molar Refractivity: 61.0527 cm^3
• Polarizability: 23.3895 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): 2.076

Product Information

• Purity: 95%