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

5-({1-[2-(1H-Benzimidazol-2-yl)ethyl]-4-(4-fluoro-3-methylphenyl)-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 ID119204953

More details:

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

5-({1-[2-(1H-Benzimidazol-2-yl)ethyl]-4-(4-fluor-3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorbenzoesäure [German] [ACD/IUPAC Name]
5-({1-[2-(1H-Benzimidazol-2-yl)ethyl]-4-(4-fluoro-3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorobenzoic acid [ACD/IUPAC Name]
Acide 5-({1-[2-(1H-benzimidazol-2-yl)éthyl]-4-(4-fluoro-3-méthylphényl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)-2-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-fluoro-3-methylphenyl)-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: 770.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.7±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 21.85
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 115 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 78.5±3.0 dyne/cm
Molar Volume: 340.1±3.0 cm3

Click to predict properties on the Chemicalize site


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