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Chemical ID: 5403505
Chemical ID:
5403505
Name [?]:
N-(2,6-difluorophenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2c(cccc2F)F)C
InChi [?]:
InChI=1/C16H15F2NO2/c1-10-5-3-6-11(2)16(10)21-9-14(20)19-15-12(17)7-4-8-13(15)18/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,4,16,3,5,15,17,9,2,6,14,18,10,13,7,20,19,12,11,8/E:(1,2)(5,6)(7,8)(10,11)(12,13)(17,18)/rA:21nCCCCCCCOCCONCCCCCCFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55079 |
Area: | 473.282 |
Solvation: | -5.28125 |
Coulombic: | -36.3848 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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