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Chemical ID: 7347481
Chemical ID:
7347481
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H10ClF3N2O2/c17-13-6-5-11(7-12(13)16(18,19)20)22-15(23)9-24-14-4-2-1-3-10(14)8-21/h1-7H,9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,19,7,10,5,14,18,17,4,11,20,24,21,22,23,8,13,12,9/E:(18,19,20)/rA:24nCCCCCCCNOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClF3N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75542 |
Area: | 529.712 |
Solvation: | -5.48738 |
Coulombic: | -49.4306 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.711 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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