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Chemical ID: 6544761
Chemical ID:
6544761
Name [?]:
N-(2,5-dichlorophenyl)-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2cc(ccc2Cl)Cl)C(C)(C)C
InChi [?]:
InChI=1/C19H21Cl2NO2/c1-12-9-13(19(2,3)4)5-8-17(12)24-11-18(23)22-16-10-14(20)6-7-15(16)21/h5-10H,11H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,5,16,17,6,3,14,9,2,4,15,18,13,7,10,21,20,19,12,11,8/E:(2,3,4)/rA:24nCCCCCCCOCCONCCCCCCClClCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s4;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21Cl2NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0985 |
Area: | 587.73 |
Solvation: | -3.59477 |
Coulombic: | -30.6597 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.96 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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