IUPAC name
2-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]-N-[4-(trifluoromethoxy)phenyl]hydrazinecarboxamide
SMILES
c1cc(cc(c1)C(F)(F)F)/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/Cc1ccc(cc1)C#N
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
metaflumizone
IUPAC name
2-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]-N-[4-(trifluoromethoxy)phenyl]hydrazinecarboxamide
SMILES
c1cc(cc(c1)C(F)(F)F)/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/Cc1ccc(cc1)C#N
INCHI
InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+
FORMULA
C24H16F6N4O2
Common name
metaflumizone
IUPAC name
2-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]-N-[4-(trifluoromethoxy)phenyl]hydrazinecarboxamide
Molecular weight
506.400
clogP
6.167
clogS
-7.097
HBond Acceptor
5
HBond Donor
2
Total Polar Surface Area
90
Number of Rings
3
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01396 | 4-aminophenol |
|
c1cc(ccc1O)N | 0.0007 |
| FDBF02252 | 4-methylbenzonitrile |
|
Cc1ccc(cc1)C#N | 0.0007 |
| FDBF02254 | benzonitrile |
|
c1ccc(cc1)C#N | 0.0041 |
| FDBF05245 | (NE,1Z)-N-(1-phenylethylidene)methanehydrazonic acid |
|
C/C(=N\N=C/O)/c1ccccc1 | 0.0003 |
| FDBF05248 | 1-[(E)-benzylideneamino]-3-phenylurea |
|
c1cccc(c1)/C=N/NC(=O)Nc1ccccc1 | 0.0003 |
| FDBF05250 | 1-phenyl-3-[(E)-1-phenylethylideneamino]urea |
|
C/C(=N\NC(=O)Nc1ccccc1)/c1ccccc1 | 0.0003 |
| FDBF05251 | 4-(trifluoromethoxy)aniline |
|
O(C(F)(F)F)c1ccc(N)cc1 | 0.0003 |
14 ,
2
