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Chemical ID: 6990159
Chemical ID:
6990159
Name [?]:
N-(2,4-dichlorophenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2ccc(cc2Cl)Cl)C
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,4,3,5,15,14,17,9,2,6,16,18,13,10,7,20,19,12,11,8/E:(1,2)(4,5)(10,11)/rA:21nCCCCCCCOCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81577 |
Area: | 524.197 |
Solvation: | -3.28915 |
Coulombic: | -30.3862 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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