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Chemical ID: 6990116
Chemical ID:
6990116
Name [?]:
2-(3,5-dimethylphenoxy)-N-(2,4,5-trichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2cc(c(cc2Cl)Cl)Cl)C
InChi [?]:
InChI=1/C16H14Cl3NO2/c1-9-3-10(2)5-11(4-9)22-8-16(21)20-15-7-13(18)12(17)6-14(15)19/h3-7H,8H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,5,17,14,9,2,4,6,16,15,18,13,10,20,21,19,12,11,8/E:(1,2)(4,5)(9,10)/rA:22nCCCCCCCOCCONCCCCCCClClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl3NO2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2811 |
Area: | 558.581 |
Solvation: | -3.68346 |
Coulombic: | -29.4279 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 358.646 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.42 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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