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Chemical ID: 4503195
Chemical ID:
4503195
Name [?]:
N-[2-(difluoromethoxy)phenyl]-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccccc2OC(F)F
InChi [?]:
InChI=1/C17H17F2NO3/c1-11-6-5-9-14(12(11)2)22-10-16(21)20-13-7-3-4-8-15(13)23-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,16,17,4,3,15,18,5,10,2,7,14,6,19,11,21,22,23,13,12,9,20/E:(18,19)/rA:23nCCCCCCCCOCCONCCCCCCOCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F2NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33803 |
Area: | 506.239 |
Solvation: | -5.31795 |
Coulombic: | -48.8241 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.97 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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