ChemSpider 2D Image | 5-({1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorobenzoic acid | C27H20ClFN4O4

5-({1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorobenzoic acid

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID118876469

More details:

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

5-({1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorobenzoic acid [ACD/IUPAC Name]
5-({1-[3-(1H-Benzimidazol-2-yl)propyl]-4-(4-fluorphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorbenzoesäure [German] [ACD/IUPAC Name]
Acide 5-({1-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophényl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[1-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl]amino]-2-chloro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 774.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 20.79
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 5.45
Polar Surface Area: 115 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 78.9±3.0 dyne/cm
Molar Volume: 340.3±3.0 cm3

Click to predict properties on the Chemicalize site


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