Chemical ID: 4454774

c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)Cl
Chemical ID:
4454774
Name [?]:
1-(2-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-piperidine-4-carboxamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C20H18ClF3N2O2/c21-17-4-2-1-3-16(17)19(28)26-11-9-13(10-12-26)18(27)25-15-7-5-14(6-8-15)20(22,23)24/h1-8,13H,9-12H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,22,19,23,11,13,10,14,12,21,18,5,4,15,7,24,28,25,26,27,17,9,16,8/E:(5,6)(7,8)(9,10)(11,12)(22,23,24)/rA:28nCCCCCCCONCCCCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClF3N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4807
Area:585.228
Solvation:-4.15003
Coulombic:-56.97
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.817
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.39
LogP (Chemaxon):4.18

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Descriptor Annotations

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