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Chemical ID: 7521281
Chemical ID:
7521281
Name [?]:
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H10ClF6NO2/c17-12-3-1-2-4-13(12)26-8-14(25)24-11-6-9(15(18,19)20)5-10(7-11)16(21,22)23/h1-7H,8H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,13,17,8,14,16,12,4,5,9,22,18,26,23,24,25,19,20,21,11,10,7/E:(6,7)(9,10)(15,16)(18,19,20,21,22,23)/rA:26nCCCCCCOCCONCCCCCCCFFFCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s14;s22;s22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClF6NO2 |
All Atoms: | 36 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.61574 |
Area: | 542.038 |
Solvation: | -5.93521 |
Coulombic: | -64.7072 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.15 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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