ChemSpider 2D Image | N-{1-[2-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-2-oxoethyl]-1H-pyrazol-4-yl}-2-fluorobenzamide | C23H27FN4O2

N-{1-[2-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-2-oxoethyl]-1H-pyrazol-4-yl}-2-fluorobenzamide

  • Molecular FormulaC23H27FN4O2
  • Average mass410.484 Da
  • Monoisotopic mass410.211792 Da
  • ChemSpider ID22865835
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Pyrazole-1-acetamide, N-[2-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl]-4-[(2-fluorobenzoyl)amino]- [ACD/Index Name]
N-{1-[2-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-2-oxoethyl]-1H-pyrazol-4-yl}-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-{1-[2-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-2-oxoethyl]-1H-pyrazol-4-yl}-2-fluorobenzamide [ACD/IUPAC Name]
N-{1-[2-({2-[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]éthyl}amino)-2-oxoéthyl]-1H-pyrazol-4-yl}-2-fluorobenzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 503.52
ACD/KOC (pH 5.5): 2990.19
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.53
ACD/KOC (pH 7.4): 2990.29
Polar Surface Area: 76 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 314.6±7.0 cm3

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