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Chemical ID: 5780640
Chemical ID:
5780640
Name [?]:
N-(2,4-dichlorophenyl)-2-(2,4,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)Nc2ccc(cc2Cl)Cl)C
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)20-15-5-4-13(18)8-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,22,16,15,7,3,18,10,2,6,4,17,19,14,11,5,21,20,13,12,9/E:(2,3)(6,7)(11,12)/rA:22nCCCCCCCCOCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3629 |
Area: | 546.318 |
Solvation: | -3.295 |
Coulombic: | -30.1565 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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