Chemical ID: 4059527

Cc1ccc(c(c1)NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F)C
Chemical ID:
4059527
Name [?]:
N-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C20H22F3N3O/c1-14-6-7-15(2)18(12-14)24-19(27)26-10-8-25(9-11-26)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,27,19,20,18,3,4,13,15,12,16,7,22,2,5,21,17,6,9,23,24,25,26,8,14,11,10/E:(8,9)(10,11)(21,22,23)/rA:27nCCCCCCCNCONCCNCCCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22F3N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7121
Area:562.42
Solvation:-3.3484
Coulombic:-55.8466
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.404
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.46
LogP (Chemaxon):4.72

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Descriptor Annotations

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