ChemSpider 2D Image | (4R)-4-[(4-Fluorobenzyl)amino]-N-[2-(2-fluorophenyl)ethyl]-1-isopropyl-L-prolinamide | C23H29F2N3O

(4R)-4-[(4-Fluorobenzyl)amino]-N-[2-(2-fluorophenyl)ethyl]-1-isopropyl-L-prolinamide

  • Molecular FormulaC23H29F2N3O
  • Average mass401.493 Da
  • Monoisotopic mass401.227875 Da
  • ChemSpider ID23037636

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-[(4-Fluorbenzyl)amino]-N-[2-(2-fluorphenyl)ethyl]-1-isopropyl-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-[(4-Fluorobenzyl)amino]-N-[2-(2-fluorophenyl)ethyl]-1-isopropyl-L-prolinamide [ACD/IUPAC Name]
(4R)-4-[(4-Fluorobenzyl)amino]-N-[2-(2-fluorophényl)éthyl]-1-isopropyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[2-(2-fluorophenyl)ethyl]-4-[[(4-fluorophenyl)methyl]amino]-1-(1-methylethyl)-, (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: 561.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 20.45
ACD/KOC (pH 7.4): 133.12
Polar Surface Area: 44 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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