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Chemical ID: 6462298
Chemical ID:
6462298
Name [?]:
N-(2,5-dichlorophenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)Cl)C(C)C
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-11(2)14-6-4-12(3)8-17(14)23-10-18(22)21-16-9-13(19)5-7-15(16)20/h4-9,11H,10H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,3,16,4,17,7,14,9,21,2,15,5,18,13,6,10,20,19,12,11,8/E:(1,2)/rA:23nCCCCCCCOCCONCCCCCCClClCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7001 |
Area: | 571.111 |
Solvation: | -3.57764 |
Coulombic: | -30.5377 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.55 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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