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Chemical ID: 7474951
Chemical ID:
7474951
Name [?]:
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2cc(ccc2Cl)Cl)C
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-5-11(2)7-13(6-10)21-9-16(20)19-15-8-12(17)3-4-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,16,17,3,7,5,14,9,2,4,15,6,18,13,10,20,19,12,11,8/E:(1,2)(6,7)(10,11)/rA:21nCCCCCCCOCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64738 |
Area: | 531.279 |
Solvation: | -3.6346 |
Coulombic: | -29.6973 |
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: | 4.79 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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