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Chemical ID: 3939564
Chemical ID:
3939564
Name [?]:
4-cyclohexylcarbonylamino-N-[2-(trifluoromethyl)phenyl]-piperidine-1-carboxamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C20H26F3N3O2/c21-20(22,23)16-8-4-5-9-17(16)25-19(28)26-12-10-15(11-13-26)24-18(27)14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:26,25,27,1,2,24,28,6,3,16,18,15,19,23,17,5,4,21,12,7,8,9,10,20,11,14,22,13/E:(2,3)(6,7)(10,11)(12,13)(21,22,23)/rA:28nCCCCCCCFFFNCONCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;s20;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26F3N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4121 |
Area: | 583.232 |
Solvation: | -3.16866 |
Coulombic: | -70.4279 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 397.435 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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