ChemSpider 2D Image | (4R)-1-Benzyl-4-[(2,6-difluorobenzyl)amino]-N,N-diethyl-L-prolinamide | C23H29F2N3O

(4R)-1-Benzyl-4-[(2,6-difluorobenzyl)amino]-N,N-diethyl-L-prolinamide

  • Molecular FormulaC23H29F2N3O
  • Average mass401.493 Da
  • Monoisotopic mass401.227875 Da
  • ChemSpider ID22835648

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-Benzyl-4-[(2,6-difluorbenzyl)amino]-N,N-diethyl-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-Benzyl-4-[(2,6-difluorobenzyl)amino]-N,N-diethyl-L-prolinamide [ACD/IUPAC Name]
(4R)-1-Benzyl-4-[(2,6-difluorobenzyl)amino]-N,N-diéthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[[(2,6-difluorophenyl)methyl]amino]-N,N-diethyl-1-(phenylmethyl)-, (2S,4R)- [ACD/Index 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: 507.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.0±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 20.84
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 172.74
ACD/KOC (pH 7.4): 1075.40
Polar Surface Area: 36 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 338.4±5.0 cm3

Click to predict properties on the Chemicalize site


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