2-chloro-N-(2-cyclopropylphenyl)acetamide

• ChemBase ID: 311891
• Molecular Formular: C11H12ClNO
• Molecular Mass: 209.67208
• Monoisotopic Mass: 209.06074169
• SMILES: C1(CC1)c1c(NC(=O)CCl)cccc1
• Canonical SMILES: ClCC(=O)Nc1ccccc1C1CC1
• InChI: InChI=1S/C11H12ClNO/c12-7-11(14)13-10-4-2-1-3-9(10)8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
• InChIKey: FIYNRKCOFRDEMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 444066-96-0
• MDL Number: MFCD03196376

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5295832
• LogD (pH = 7.4): 2.529583
• Log P: 2.5295832
• Molar Refractivity: 58.0628 cm^3
• Polarizability: 21.751167 Å^3
• Polar Surface Area: 29.1 Å^2