Chemical ID: 4017575

c1cc(cc(c1)NC(=O)N2CCN(CC2)c3ccc(cc3)F)C(F)(F)F
Chemical ID:
4017575
Name [?]:
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)NC(=O)N2CCN(CC2)c3ccc(cc3)F)C(F)(F)F
InChi [?]:
InChI=1/C18H17F4N3O/c19-14-4-6-16(7-5-14)24-8-10-25(11-9-24)17(26)23-15-3-1-2-13(12-15)18(20,21)22/h1-7,12H,8-11H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,20,17,21,12,14,11,15,4,3,19,5,16,8,23,22,24,25,26,7,13,10,9/E:(4,5)(6,7)(8,9)(10,11)(20,21,22)/rA:26nCCCCCCNCONCCNCCCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s19;s3;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F4N3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.12069
Area:530.238
Solvation:-4.13525
Coulombic:-58.9856
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.341
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):4.57

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