Chemical ID: 4357274

c1ccc(cc1)NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F
Chemical ID:
4357274
Name [?]:
N-phenyl-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H18F3N3O/c19-18(20,21)14-5-4-8-16(13-14)23-9-11-24(12-10-23)17(25)22-15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,12,14,11,15,21,20,4,16,8,22,23,24,25,7,13,10,9/E:(2,3)(6,7)(9,10)(11,12)(19,20,21)/rA:25nCCCCCCNCONCCNCCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18F3N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.73925
Area:523.325
Solvation:-3.34387
Coulombic:-56.2109
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):4.43

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