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Chemical ID: 4324241
Chemical ID:
4324241
Name [?]:
N-(2,5-dichlorophenyl)-2-(2,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-14-8-12(17)4-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,18,4,7,15,10,2,6,16,19,14,5,11,21,20,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60194 |
Area: | 528.204 |
Solvation: | -3.60314 |
Coulombic: | -29.78 |
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: | 4.58 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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