Found 1 result

Search term: Fc1cc(NC(=O)C(=O)NC[C@H]2CCN(C2)C2CC2)ccc1Cl (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(4-Chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropyl-3-pyrrolidinyl]methyl}ethanediamide | C16H19ClFN3O2

N-(4-Chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropyl-3-pyrrolidinyl]methyl}ethanediamide

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID35033394

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethanediamide, N1-(4-chloro-3-fluorophenyl)-N2-[[(3R)-1-cyclopropyl-3-pyrrolidinyl]methyl]- [ACD/Index Name]
N-(4-Chlor-3-fluorphenyl)-N'-{[(3R)-1-cyclopropyl-3-pyrrolidinyl]methyl}ethandiamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropyl-3-pyrrolidinyl]methyl}ethanediamide [ACD/IUPAC Name]
N-(4-Chloro-3-fluorophényl)-N'-{[(3R)-1-cyclopropyl-3-pyrrolidinyl]méthyl}éthanediamide [French] [ACD/IUPAC Name]
N-(4-Chloro-3-Fluorophenyl)-N'-{[(3r)-1-Cyclopropylpyrrolidin-3-Yl]methyl}ethanediamide
0M5

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 61 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

Click to predict properties on the Chemicalize site


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