ChemSpider 2D Image | N-[(3S)-1-Amino-1,2-dioxo-3-pentanyl]-2-chloro-4-(2-pyridinylmethoxy)-3-(trifluoromethyl)benzamide | C19H17ClF3N3O4

N-[(3S)-1-Amino-1,2-dioxo-3-pentanyl]-2-chloro-4-(2-pyridinylmethoxy)-3-(trifluoromethyl)benzamide

  • Molecular FormulaC19H17ClF3N3O4
  • Average mass443.804 Da
  • Monoisotopic mass443.085968 Da
  • ChemSpider ID25058251
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzamide, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(2-pyridinylmethoxy)-3-(trifluoromethyl)- [ACD/Index Name]
N-[(1s)-3-Amino-1-Ethyl-2,3-Dioxopropyl]-2-Chloro-4-(Pyridin-2-Ylmethoxy)-3-(Trifluoromethyl)benzamide
N-[(3S)-1-Amino-1,2-dioxo-3-pentanyl]-2-chlor-4-(2-pyridinylmethoxy)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[(3S)-1-Amino-1,2-dioxo-3-pentanyl]-2-chloro-4-(2-pyridinylmethoxy)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[(3S)-1-Amino-1,2-dioxo-3-pentanyl]-2-chloro-4-(2-pyridinylméthoxy)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.62
ACD/KOC (pH 5.5): 474.18
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.08
ACD/KOC (pH 7.4): 479.82
Polar Surface Area: 111 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 317.5±3.0 cm3

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