ChemSpider 2D Image | 2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]propanamide | C29H30F6N4O

2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]propanamide

  • Molecular FormulaC29H30F6N4O
  • Average mass564.565 Da
  • Monoisotopic mass564.232361 Da
  • ChemSpider ID8091566

More details:

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

2-[3,5-Bis(trifluormethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]propanamid [German] [ACD/IUPAC Name]
2-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]propanamide [ACD/IUPAC Name]
2-[3,5-Bis(trifluorométhyl)phényl]-N,2-diméthyl-N-[4-(2-méthylphényl)-6-(1-pipérazinyl)-3-pyridinyl]propanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
1-(Tert-butoxycarbonyl)-3-phenylpyrrolidine-2-carboxylic acid
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(piperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(piperazin-1-yl)pyridin-3-yl]propanamide
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]propanamide
290296-72-9 [RN]
N-desmethyl Netupitant
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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: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.2±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 971.01
ACD/KOC (pH 7.4): 2074.61
Polar Surface Area: 48 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 445.7±3.0 cm3

Click to predict properties on the Chemicalize site


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