ChemSpider 2D Image | (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE | C22H17Cl2FN4O2

(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE

  • Molecular FormulaC22H17Cl2FN4O2
  • Average mass459.300 Da
  • Monoisotopic mass458.071259 Da
  • ChemSpider ID23280577

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
1H-Pyrrole-2-carboxamide, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
1H-pyrrole-2-carboxamide, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-
N-[(1S)-1-(3-Chlor-4-fluorphenyl)-2-hydroxyethyl]-4-[4-(3-chlorphenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(1S)-1-(3-Chloro-4-fluorophényl)-2-hydroxyéthyl]-4-[4-(3-chlorophényl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
82A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL387385/
N-((S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 733.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1269.75
ACD/KOC (pH 5.5): 5796.56
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1270.47
ACD/KOC (pH 7.4): 5799.83
Polar Surface Area: 94 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 313.8±3.0 cm3

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