ChemSpider 2D Image | N-Cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide | C22H28F3NO3

N-Cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide

  • Molecular FormulaC22H28F3NO3
  • Average mass411.458 Da
  • Monoisotopic mass411.202118 Da
  • ChemSpider ID23335897
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Benzamide, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]- [ACD/Index Name]
N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
N-Cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(2S)-1,1,1-trifluor-2-hydroxy-2-propanyl]benzamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [ACD/IUPAC Name]
N-Cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [French] [ACD/IUPAC Name]
CHEMBL526305
IIG
N-cyclopropyl-N-((1s,4R)-4-cyclopropyl-4-hydroxycyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.59
ACD/KOC (pH 5.5): 601.61
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.59
ACD/KOC (pH 7.4): 601.56
Polar Surface Area: 61 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 310.9±5.0 cm3

Click to predict properties on the Chemicalize site





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