ChemSpider 2D Image | N-Cyclopropyl-N-[trans-4-(3-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide | C24H27F3N2O2

N-Cyclopropyl-N-[trans-4-(3-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide

  • Molecular FormulaC24H27F3N2O2
  • Average mass432.479 Da
  • Monoisotopic mass432.202454 Da
  • ChemSpider ID23329241

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-cyclopropyl-N-[trans-4-(3-pyridinyl)cyclohexyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]- [ACD/Index Name]
N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
N-Cyclopropyl-N-[trans-4-(3-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluor-2-hydroxy-2-propanyl]benzamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N-[trans-4-(3-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [ACD/IUPAC Name]
N-Cyclopropyl-N-[trans-4-(3-pyridinyl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [French] [ACD/IUPAC Name]
(S)-N-(trans-4-(Pyridin-3-yl))cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
D3E
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452587/
N-cyclopropyl-N-((1r,4S)-4-(pyridin-3-yl)cyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
N-cyclopropyl-N-[(1r,4r)-4-(pyridin-3-yl)cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 92.35
ACD/KOC (pH 5.5): 740.84
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.81
ACD/KOC (pH 7.4): 1386.32
Polar Surface Area: 53 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


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