N-[(4-fluorophenyl)methyl]-N-(prop-2-en-1-yl)-2-(propan-2-yloxy)propanamide

• ChemBase ID: 851590
• Molecular Formular: C16H22FNO2
• Molecular Mass: 279.3497832
• Monoisotopic Mass: 279.16345717
• SMILES: C(=O)(N(Cc1ccc(F)cc1)CC=C)C(OC(C)C)C
• Canonical SMILES: C=CCN(C(=O)C(OC(C)C)C)Cc1ccc(cc1)F
• InChI: InChI=1S/C16H22FNO2/c1-5-10-18(16(19)13(4)20-12(2)3)11-14-6-8-15(17)9-7-14/h5-9,12-13H,1,10-11H2,2-4H3
• InChIKey: GZDOJCJGGQEDTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-(prop-2-en-1-yl)-2-(propan-2-yloxy)propanamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-2-isopropoxy-N-(prop-2-en-1-yl)propanamide
• Synonyms: N-allyl-N-(4-fluorobenzyl)-2-isopropoxypropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1835144
• LogD (pH = 7.4): 3.1835144
• Log P: 3.1835144
• Molar Refractivity: 78.3657 cm^3
• Polarizability: 30.054432 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.16
• LOG S: -3.94
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7