ChemSpider 2D Image | 2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide | C21H27ClFNO4S

2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide

  • Molecular FormulaC21H27ClFNO4S
  • Average mass443.960 Da
  • Monoisotopic mass443.133331 Da
  • ChemSpider ID26328287
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-(2-Chlor-4-fluorphenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamid [German] [ACD/IUPAC Name]
2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE
2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide [ACD/IUPAC Name]
2-(2-Chloro-4-fluorophénoxy)-2-méthyl-N-[5-(méthylsulfonyl)adamantan-2-yl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)tricyclo[3.3.1.13,7]dec-2-yl]- [ACD/Index Name]
2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2s,3S,5s,7s)-5-methanesulfonyladamantan-2-yl]propanamide
NN1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.40
ACD/KOC (pH 5.5): 2168.45
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 321.40
ACD/KOC (pH 7.4): 2168.45
Polar Surface Area: 81 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 327.5±5.0 cm3

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