N-benzyl-3-chloro-N-ethylpropanamide

• ChemBase ID: 310765
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: C(=O)(N(Cc1ccccc1)CC)CCCl
• Canonical SMILES: CCN(C(=O)CCCl)Cc1ccccc1
• InChI: InChI=1S/C12H16ClNO/c1-2-14(12(15)8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
• InChIKey: RSNMMIYYIDZPFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-chloro-N-ethylpropanamide
• IUPAC Traditional name: N-benzyl-3-chloro-N-ethylpropanamide
• Synonyms: N-benzyl-3-chloro-N-ethylpropanamide

Database IDs

• CAS Number: 349097-78-5
• MDL Number: MFCD02973799

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2727015
• LogD (pH = 7.4): 2.2727015
• Log P: 2.2727015
• Molar Refractivity: 63.0731 cm^3
• Polarizability: 24.397148 Å^3
• Polar Surface Area: 20.31 Å^2