ChemSpider 2D Image | N-[(1S,5S,6S,7R)-7-Cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-(4-fluorophenyl)-4-oxobutanamide | C21H26FNO3

N-[(1S,5S,6S,7R)-7-Cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-(4-fluorophenyl)-4-oxobutanamide

  • Molecular FormulaC21H26FNO3
  • Average mass359.434 Da
  • Monoisotopic mass359.189667 Da
  • ChemSpider ID35076078

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzenebutanamide, N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-fluoro-γ-oxo- [ACD/Index Name]
N-[(1S,5S,6S,7R)-7-Cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-(4-fluorophenyl)-4-oxobutanamide [ACD/IUPAC Name]
N-[(1S,5S,6S,7R)-7-Cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-(4-fluorophényl)-4-oxobutanamide [French] [ACD/IUPAC Name]
N-[(1S,5S,6S,7R)-7-Cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-(4-fluorphenyl)-4-oxobutanamid [German] [ACD/IUPAC Name]
N-[rac-(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-4-(4-fluorophenyl)-4-oxobutanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.84
ACD/KOC (pH 5.5): 1332.88
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.84
ACD/KOC (pH 7.4): 1332.88
Polar Surface Area: 55 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 294.3±5.0 cm3

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