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Chemical ID: 4411263
Chemical ID:
4411263
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C21H20ClF3N2O2/c1-13-4-2-3-5-16(13)20(29)27-10-8-14(9-11-27)19(28)26-18-12-15(21(23,24)25)6-7-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,22,23,12,14,11,15,20,2,13,21,7,24,19,16,8,26,25,27,28,29,18,10,17,9/E:(8,9)(10,11)(23,24,25)/rA:29nCCCCCCCCONCCCCCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClF3N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5107 |
Area: | 604.316 |
Solvation: | -3.59724 |
Coulombic: | -57.6896 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 424.844 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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