Chemical ID: 6516714

CCCCNC(=O)N1CCN(CC1)c2cccc(c2)C(F)(F)F
Chemical ID:
6516714
Name [?]:
N-butyl-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
CCCCNC(=O)N1CCN(CC1)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C16H22F3N3O/c1-2-3-7-20-15(23)22-10-8-21(9-11-22)14-6-4-5-13(12-14)16(17,18)19/h4-6,12H,2-3,7-11H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,17,15,4,10,12,9,13,19,18,14,6,20,21,22,23,5,11,8,7/E:(8,9)(10,11)(17,18,19)/rA:23nCCCCNCONCCNCCCCCCCCCFFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22F3N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0752
Area:525.772
Solvation:-3.06912
Coulombic:-56.2075
Bond Count [?]
All:24
Single:20
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:329.361
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):3.48

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