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Chemical ID: 4155238
Chemical ID:
4155238
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1C)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C18H17ClF3NO2/c1-10-4-5-11(2)17(12(10)3)25-9-16(24)23-13-6-7-15(19)14(8-13)18(20,21)22/h4-8H,9H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,8,3,4,15,16,19,10,2,5,7,14,18,17,11,6,20,24,21,22,23,13,12,9/E:(20,21,22)/rA:25nCCCCCCCCOCCONCCCCCCCFFFClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClF3NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30912 |
Area: | 547.531 |
Solvation: | -4.37915 |
Coulombic: | -46.9754 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.781 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.11 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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