ChemSpider 2D Image | (4S)-1-(3-Chlorobenzyl)-4-[(2,6-difluorobenzyl)amino]-N-methyl-L-prolinamide | C20H22ClF2N3O

(4S)-1-(3-Chlorobenzyl)-4-[(2,6-difluorobenzyl)amino]-N-methyl-L-prolinamide

  • Molecular FormulaC20H22ClF2N3O
  • Average mass393.858 Da
  • Monoisotopic mass393.141937 Da
  • ChemSpider ID23039527

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-(3-Chlorbenzyl)-4-[(2,6-difluorbenzyl)amino]-N-methyl-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-1-(3-Chlorobenzyl)-4-[(2,6-difluorobenzyl)amino]-N-methyl-L-prolinamide [ACD/IUPAC Name]
(4S)-1-(3-Chlorobenzyl)-4-[(2,6-difluorobenzyl)amino]-N-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(3-chlorophenyl)methyl]-4-[[(2,6-difluorophenyl)methyl]amino]-N-methyl-, (2S,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.3±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 20.23
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 67.12
ACD/KOC (pH 7.4): 617.91
Polar Surface Area: 44 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 302.0±5.0 cm3

Click to predict properties on the Chemicalize site


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