Chemical ID: 4721247

CC(CC(=O)Nc1ccccc1C(F)(F)F)N2CCCC2
Chemical ID:
4721247
Name [?]:
3-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]-butanamide
SMILES [?]:
CC(CC(=O)Nc1ccccc1C(F)(F)F)N2CCCC2
InChi [?]:
InChI=1/C15H19F3N2O/c1-11(20-8-4-5-9-20)10-14(21)19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,10,9,19,20,11,8,18,21,3,2,12,7,4,13,14,15,16,6,17,5/E:(4,5)(8,9)(16,17,18)/rA:21cCCCCONCCCCCCCFFFNCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s13;s13;s2;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19F3N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.46828
Area:459.639
Solvation:-3.02269
Coulombic:-43.435
Bond Count [?]
All:22
Single:18
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.319
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):3.04

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Descriptor Annotations

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