2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide

• ChemBase ID: 253915
• Molecular Formular: C12H15Cl2NO2
• Molecular Mass: 276.159
• Monoisotopic Mass: 275.04798409
• SMILES: C(=O)(N(CCOc1ccc(Cl)cc1)C)C(Cl)C
• Canonical SMILES: Clc1ccc(cc1)OCCN(C(=O)C(Cl)C)C
• InChI: InChI=1S/C12H15Cl2NO2/c1-9(13)12(16)15(2)7-8-17-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
• InChIKey: RUAKVJUANQEEFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
• IUPAC Traditional name: 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
• Synonyms: 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide

Database IDs

• MDL Number: MFCD09971335
• PubChem SID: 164309825
• PubChem CID: 42940265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7712662
• LogD (pH = 7.4): 2.7712662
• Log P: 2.7712662
• Molar Refractivity: 68.8634 cm^3
• Polarizability: 27.001806 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.548

Product Information

• Purity: 95%