N-cyclopropyl-4-(dichloromethyl)benzamide

• ChemBase ID: 253114
• Molecular Formular: C11H11Cl2NO
• Molecular Mass: 244.11714
• Monoisotopic Mass: 243.02176934
• SMILES: C(=O)(NC1CC1)c1ccc(C(Cl)Cl)cc1
• Canonical SMILES: ClC(c1ccc(cc1)C(=O)NC1CC1)Cl
• InChI: InChI=1S/C11H11Cl2NO/c12-10(13)7-1-3-8(4-2-7)11(15)14-9-5-6-9/h1-4,9-10H,5-6H2,(H,14,15)
• InChIKey: CLMWSEUQYCVWLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-(dichloromethyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-(dichloromethyl)benzamide
• Synonyms: N-cyclopropyl-4-(dichloromethyl)benzamide

Database IDs

• MDL Number: MFCD08691361
• PubChem SID: 164309024
• PubChem CID: 16227623

CALCULATED PROPERTIES

• Acid pKa: 14.990624
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7690687
• LogD (pH = 7.4): 2.769069
• Log P: 2.769069
• Molar Refractivity: 62.1653 cm^3
• Polarizability: 23.497246 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.29

Product Information

• Purity: 95%