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Chemical ID: 4357274
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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