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Chemical ID: 7264220
Chemical ID:
7264220
Name [?]:
2-(cyclohexyl-methyl-amino)-N-(2,6-dichloro-3-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1Cl)NC(=O)CN(C)C2CCCCC2)Cl
InChi [?]:
InChI=1/C16H22Cl2N2O/c1-11-8-9-13(17)16(15(11)18)19-14(21)10-20(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,14,18,17,19,16,20,3,4,12,2,15,5,10,7,6,21,8,9,13,11/E:(4,5)(6,7)/rA:21cCCCCCCCClNCOCNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s13;s15;s16;s17;s18;s15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22Cl2N2O |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1317 |
Area: | 508.43 |
Solvation: | -2.5791 |
Coulombic: | -27.0471 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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