Chemical ID: 4017230

Cc1ccccc1NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F
Chemical ID:
4017230
Name [?]:
N-(o-tolyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H20F3N3O/c1-14-5-2-3-8-17(14)23-18(26)25-11-9-24(10-12-25)16-7-4-6-15(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,19,3,20,18,6,13,15,12,16,22,2,21,17,7,9,23,24,25,26,8,14,11,10/E:(9,10)(11,12)(20,21,22)/rA:26nCCCCCCCNCONCCNCCCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20F3N3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1943
Area:541.651
Solvation:-3.34696
Coulombic:-56.076
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.377
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.02
LogP (Chemaxon):4.25

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