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Chemical ID: 4151904
Chemical ID:
4151904
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-10-4-3-5-15(11(10)2)24-9-16(23)22-14-8-12(17(19,20)21)6-7-13(14)18/h3-8H,9H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,17,18,15,10,2,7,16,19,14,6,11,21,20,22,23,24,13,12,9/E:(19,20,21)/rA:24nCCCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClF3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.938 |
Area: | 532.876 |
Solvation: | -4.38389 |
Coulombic: | -47.6637 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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