ChemSpider 2D Image | N~2~-Acetyl-N-{[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl}-L-alaninamide | C17H17F2N3O3

N2-Acetyl-N-{[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl}-L-alaninamide

  • Molecular FormulaC17H17F2N3O3
  • Average mass349.332 Da
  • Monoisotopic mass349.123810 Da
  • ChemSpider ID29662756

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-Acetyl-N-{[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl}-L-alaninamide [ACD/IUPAC Name]
N2-Acétyl-N-{[2-(3,4-difluorophénoxy)-3-pyridinyl]méthyl}-L-alaninamide [French] [ACD/IUPAC Name]
N2-Acetyl-N-{[2-(3,4-difluorphenoxy)-3-pyridinyl]methyl}-L-alaninamid [German] [ACD/IUPAC Name]
Propanamide, 2-(acetylamino)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-, (2S)- [ACD/Index Name]
(2S)-2-(acetylamino)-N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}propanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.5±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 97.92
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.24
ACD/KOC (pH 7.4): 97.92
Polar Surface Area: 80 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 272.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement