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Chemical ID: 6166282
Chemical ID:
6166282
Name [?]:
1-(2,4-dichlorobenzoyl)-N-isobutyl-piperidine-4-carboxamide
SMILES [?]:
CC(C)CNC(=O)C1CCN(CC1)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C17H22Cl2N2O2/c1-11(2)10-20-16(22)12-5-7-21(8-6-12)17(23)14-4-3-13(18)9-15(14)19/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,9,13,10,12,20,4,2,8,19,16,21,6,14,23,22,5,11,7,15/E:(1,2)(5,6)(7,8)/rA:23nCCCCNCOCCCNCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1605 |
Area: | 569.882 |
Solvation: | -3.0865 |
Coulombic: | -38.7769 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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