ChemSpider 2D Image | 1-[1-(Cyclopropylcarbonyl)-3-azetidinyl]-N-[4-(dimethylamino)benzyl]-4,4-difluoro-L-prolinamide | C21H28F2N4O2

1-[1-(Cyclopropylcarbonyl)-3-azetidinyl]-N-[4-(dimethylamino)benzyl]-4,4-difluoro-L-prolinamide

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID67964334

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[1-(Cyclopropylcarbonyl)-3-azetidinyl]-N-[4-(dimethylamino)benzyl]-4,4-difluor-L-prolinamid [German] [ACD/IUPAC Name]
1-[1-(Cyclopropylcarbonyl)-3-azetidinyl]-N-[4-(dimethylamino)benzyl]-4,4-difluoro-L-prolinamide [ACD/IUPAC Name]
1-[1-(Cyclopropylcarbonyl)-3-azétidinyl]-N-[4-(diméthylamino)benzyl]-4,4-difluoro-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[1-(cyclopropylcarbonyl)-3-azetidinyl]-N-[[4-(dimethylamino)phenyl]methyl]-4,4-difluoro-, (2S)- [ACD/Index Name]
(2S)-1-[1-(cyclopropylcarbonyl)-3-azetanyl]-N2-[4-(dimethylamino)benzyl]-4,4-difluorotetrahydro-1H-pyrrole-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.5±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.06
ACD/KOC (pH 5.5): 120.14
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 143.14
Polar Surface Area: 56 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 311.4±5.0 cm3

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