ChemSpider 2D Image | 2-Chloro-N-[1-(2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-5-nitrobenzamide | C27H20ClFN4O4

2-Chloro-N-[1-(2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-5-nitrobenzamide

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID122321668

More details:

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

2-Chlor-N-[1-(2,3-dihydro-1H-pyrrolo[2,3-b]chinolin-1-yl)-3-(4-fluorphenyl)-1-oxo-2-propanyl]-5-nitrobenzamid [German] [ACD/IUPAC Name]
2-Chloro-N-[1-(2,3-dihydro-1H-pyrrolo[2,3-b]quinoléin-1-yl)-3-(4-fluorophényl)-1-oxo-2-propanyl]-5-nitrobenzamide [French] [ACD/IUPAC Name]
2-Chloro-N-[1-(2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-5-nitrobenzamide [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-5-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 779.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.5±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2026.28
ACD/KOC (pH 5.5): 8086.33
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2038.69
ACD/KOC (pH 7.4): 8135.83
Polar Surface Area: 108 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 358.5±3.0 cm3

Click to predict properties on the Chemicalize site


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