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Chemical ID: 6475988
Chemical ID:
6475988
Name [?]:
2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C17H16F3NO3/c1-11-4-3-5-15(12(11)2)23-10-16(22)21-13-6-8-14(9-7-13)24-17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,15,19,16,18,10,2,7,14,17,6,11,21,22,23,24,13,12,9,20/E:(6,7)(8,9)(18,19,20)/rA:24nCCCCCCCCOCCONCCCCCCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16F3NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61779 |
Area: | 516.491 |
Solvation: | -4.29448 |
Coulombic: | -60.4565 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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