N-benzyl-2-chloro-N-(2-phenylethyl)propanamide

• ChemBase ID: 233631
• Molecular Formular: C18H20ClNO
• Molecular Mass: 301.8105
• Monoisotopic Mass: 301.12334195
• SMILES: C(=O)(N(Cc1ccccc1)CCc1ccccc1)C(Cl)C
• Canonical SMILES: O=C(N(Cc1ccccc1)CCc1ccccc1)C(Cl)C
• InChI: InChI=1S/C18H20ClNO/c1-15(19)18(21)20(14-17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3
• InChIKey: LSRHPQSEFFYWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-(2-phenylethyl)propanamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-(2-phenylethyl)propanamide
• Synonyms: N-benzyl-2-chloro-N-(2-phenylethyl)propanamide

Database IDs

• MDL Number: MFCD04626511
• PubChem SID: 164289541
• PubChem CID: 3782588

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2607794
• LogD (pH = 7.4): 4.2607794
• Log P: 4.2607794
• Molar Refractivity: 87.4866 cm^3
• Polarizability: 34.000256 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.205

Product Information

• Purity: 95%