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Chemical ID: 4150169
Chemical ID:
4150169
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H12Cl2F3NO2/c1-9-6-11(3-5-13(9)17)24-8-15(23)22-10-2-4-14(18)12(7-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,5,16,6,3,19,10,2,14,4,18,7,17,11,20,8,24,21,22,23,13,12,9/E:(19,20,21)/rA:24nCCCCCCCClOCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl2F3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86893 |
Area: | 545.726 |
Solvation: | -4.77423 |
Coulombic: | -46.6194 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.173 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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