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Chemical ID: 4207491
Chemical ID:
4207491
Name [?]:
N-(2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)Nc2ccccc2F)C
InChi [?]:
InChI=1/C17H18FNO2/c1-11-8-12(2)17(13(3)9-11)21-10-16(20)19-15-7-5-4-6-14(15)18/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,21,17,16,18,15,7,3,10,2,6,4,19,14,11,5,20,13,12,9/E:(2,3)(8,9)(12,13)/rA:21nCCCCCCCCOCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22987 |
Area: | 486.45 |
Solvation: | -3.93138 |
Coulombic: | -33.848 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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