ChemSpider 2D Image | (2S)-3-[(4-Cyano-1-naphthyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | C23H16F3N3O3

(2S)-3-[(4-Cyano-1-naphthyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

  • Molecular FormulaC23H16F3N3O3
  • Average mass439.387 Da
  • Monoisotopic mass439.114380 Da
  • ChemSpider ID26328802
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-[(4-Cyan-1-naphthyl)oxy]-N-[4-cyan-3-(trifluormethyl)phenyl]-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
(2S)-3-[(4-Cyano-1-naphthyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2S)-3-[(4-Cyano-1-naphtyl)oxy]-N-[4-cyano-3-(trifluorométhyl)phényl]-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
(2s)-3-[(4-Cyanonaphthalen-1-Yl)oxy]-N-[4-Cyano-3-(Trifluoromethyl)phenyl]-2-Hydroxy-2-Methylpropanamide
Propanamide, 3-[(4-cyano-1-naphthalenyl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-, (2S)- [ACD/Index Name]
RLL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2276.79
ACD/KOC (pH 5.5): 8805.79
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2276.73
ACD/KOC (pH 7.4): 8805.53
Polar Surface Area: 106 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 307.3±5.0 cm3

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