ChemSpider 2D Image | 3-{[1-(4-Chloro-3-fluorophenyl)-2-oxo-3-pyrrolidinyl]amino}-N-(3-nitrophenyl)butanamide | C20H20ClFN4O4

3-{[1-(4-Chloro-3-fluorophenyl)-2-oxo-3-pyrrolidinyl]amino}-N-(3-nitrophenyl)butanamide

  • Molecular FormulaC20H20ClFN4O4
  • Average mass434.849 Da
  • Monoisotopic mass434.115723 Da
  • ChemSpider ID64888763

More details:

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

3-{[1-(4-Chlor-3-fluorphenyl)-2-oxo-3-pyrrolidinyl]amino}-N-(3-nitrophenyl)butanamid [German] [ACD/IUPAC Name]
3-{[1-(4-Chloro-3-fluorophenyl)-2-oxo-3-pyrrolidinyl]amino}-N-(3-nitrophenyl)butanamide [ACD/IUPAC Name]
3-{[1-(4-Chloro-3-fluorophényl)-2-oxo-3-pyrrolidinyl]amino}-N-(3-nitrophényl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 3-[[1-(4-chloro-3-fluorophenyl)-2-oxo-3-pyrrolidinyl]amino]-N-(3-nitrophenyl)- [ACD/Index Name]
3-{[1-(4-CHLORO-3-FLUOROPHENYL)-2-OXOPYRROLIDIN-3-YL]AMINO}-N-(3-NITROPHENYL)BUTANAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 22.24
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 67.15
ACD/KOC (pH 7.4): 623.62
Polar Surface Area: 107 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 305.4±5.0 cm3

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