ChemDB: Chemical Search
Download
Chemical ID: 6553760
Chemical ID:
6553760
Name [?]:
2-(4-phenoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)OCC(=O)Nc3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C21H16F3NO3/c22-21(23,24)18-8-4-5-9-19(18)25-20(26)14-27-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,10,12,9,13,15,11,4,8,24,19,16,25,26,27,28,18,17,14,7/E:(2,3)(6,7)(10,11)(12,13)(22,23,24)/rA:28nCCCCCCOCCCCCCOCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16F3NO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29936 |
Area: | 577.9 |
Solvation: | -5.14814 |
Coulombic: | -56.1501 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.08 |
LogP (Chemaxon): | 5.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|