ChemSpider 2D Image | N-(3-Fluorophenyl)-3-[(R)-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethyl-1-piperazinyl](3-hydroxyphenyl)methyl]-N-methylbenzamide | C30H35F2N3O2

N-(3-Fluorophenyl)-3-[(R)-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethyl-1-piperazinyl](3-hydroxyphenyl)methyl]-N-methylbenzamide

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID8431157

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-(3-fluorophenyl)-3-[(R)-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethyl-1-piperazinyl](3-hydroxyphenyl)methyl]-N-methyl- [ACD/Index Name]
N-(3-Fluorophenyl)-3-[(R)-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethyl-1-piperazinyl](3-hydroxyphenyl)methyl]-N-methylbenzamide [ACD/IUPAC Name]
N-(3-Fluorophényl)-3-[(R)-[(2S,5R)-4-(3-fluoropropyl)-2,5-diméthyl-1-pipérazinyl](3-hydroxyphényl)méthyl]-N-méthylbenzamide [French] [ACD/IUPAC Name]
N-(3-Fluorphenyl)-3-[(R)-[(2S,5R)-4-(3-fluorpropyl)-2,5-dimethyl-1-piperazinyl](3-hydroxyphenyl)methyl]-N-methylbenzamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 634.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 30.15
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 239.91
ACD/KOC (pH 7.4): 1341.64
Polar Surface Area: 47 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 430.3±3.0 cm3

Click to predict properties on the Chemicalize site


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