Chemical ID: 6561311

c1cc(cc(c1)NC(=O)NCCCN2CCCC2=O)C(F)(F)F
Chemical ID:
6561311
Name [?]:
3-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1cc(cc(c1)NC(=O)NCCCN2CCCC2=O)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H18F3N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.23155
Area:524.293
Solvation:-3.87578
Coulombic:-68.0465
Bond Count [?]
All:24
Single:19
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:329.318
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.82
LogP (Chemaxon):1.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue