2-chloro-N-ethyl-N-phenylpropanamide

• ChemBase ID: 234736
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C(=O)(N(c1ccccc1)CC)C(Cl)C
• Canonical SMILES: CCN(c1ccccc1)C(=O)C(Cl)C
• InChI: InChI=1S/C11H14ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
• InChIKey: GGSOFYRMISJWQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethyl-N-phenylpropanamide
• IUPAC Traditional name: 2-chloro-N-ethyl-N-phenylpropanamide
• Synonyms: 2-chloro-N-ethyl-N-phenylpropanamide

Database IDs

• MDL Number: MFCD06356454
• PubChem SID: 164290646
• PubChem CID: 3817326

CALCULATED PROPERTIES

• Acid pKa: 17.77467
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5379384
• LogD (pH = 7.4): 2.5379384
• Log P: 2.5379384
• Molar Refractivity: 58.0326 cm^3
• Polarizability: 22.551573 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.778

Product Information

• Purity: 95%