IUPAC name
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3(2H)-furanone
SMILES
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(c2ccccc2)O1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flurtamone
IUPAC name
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3(2H)-furanone
SMILES
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(c2ccccc2)O1
INCHI
InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
FORMULA
C18H14F3NO2
Common name
flurtamone
IUPAC name
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3(2H)-furanone
Molecular weight
333.304
clogP
4.289
clogS
-5.327
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
38.33
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF06192 | (5Z)-5-methyliminooxolan-3-one |
|
C/N=C/1OCC(=O)C1 | 0.0003 |
| FDBF06193 | 4-phenylfuran-3-one |
|
C1=C(C(=O)CO1)c1ccccc1 | 0.0003 |
| FDBF06194 | (2R)-2-phenylfuran-3-one |
|
c1(ccccc1)[C@H]1OC=CC1=O | 0.0003 |
| FDBF06195 | (4R,5Z)-5-methylimino-4-phenyloxolan-3-one |
|
C/N=C/1\OCC(=O)[C@@H]1c1ccccc1 | 0.0003 |
| FDBF06196 | (2R,5Z)-5-methylimino-2-phenyloxolan-3-one |
|
c1(ccccc1)[C@H]1O/C(=N\C)/CC1=O | 0.0003 |
| FDBF06197 | furan-3-one |
|
C1=CC(=O)CO1 | 0.0003 |
9 ,
1
