ChemDB: Chemical Search
Download
Chemical ID: 6611901
Chemical ID:
6611901
Name [?]:
2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2ccc(cc2)F)C(F)(F)F
InChi [?]:
InChI=1/C15H11F4NO2/c16-11-4-6-13(7-5-11)22-9-14(21)20-12-3-1-2-10(8-12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,16,13,17,4,10,3,15,5,12,8,19,18,20,21,22,7,9,11/E:(4,5)(6,7)(17,18,19)/rA:22nCCCCCCNCOCOCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11F4NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.22967 |
Area: | 473.095 |
Solvation: | -5.59769 |
Coulombic: | -49.9915 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.9 |
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 |
---|