Common name
2,6-difluoro-N-[(2-fluorophenyl)carbamoyl]benzamide
IUPAC name
2,6-difluoro-N-[(2-fluorophenyl)carbamoyl]benzamide
SMILES
c1cc(c(c(c1)F)C(=O)NC(=O)Nc1c(cccc1)F)F
Common name
2,6-difluoro-N-[(2-fluorophenyl)carbamoyl]benzamide
IUPAC name
2,6-difluoro-N-[(2-fluorophenyl)carbamoyl]benzamide
SMILES
c1cc(c(c(c1)F)C(=O)NC(=O)Nc1c(cccc1)F)F
INCHI
InChI=1S/C14H9F3N2O2/c15-8-4-1-2-7-11(8)18-14(21)19-13(20)12-9(16)5-3-6-10(12)17/h1-7H,(H2,18,19,20,21)
FORMULA
C14H9F3N2O2
Common name
2,6-difluoro-N-[(2-fluorophenyl)carbamoyl]benzamide
IUPAC name
2,6-difluoro-N-[(2-fluorophenyl)carbamoyl]benzamide
Molecular weight
294.229
clogP
2.971
clogS
-4.685
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01976 | flufenoxuron |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pmp_ligand_3_11.mol2 | 4pmp | 0.662651 | -8.48 | C(NC(=O)Nc1ccccc1)c1ccccc1 | 17 |
| 5afk_ligand.mol2 | 5afk | 0.56383 | -7.73 | O=C(Nc1ccc(F)cc1F)N1CCCC1 | 17 |
| 5aku_ligand_frag_0.mol2 | 5aku | 0.558824 | -7.63 | N1CNc2c(C1=O)cccc2 | 11 |
| 5akw_ligand_frag_1.mol2 | 5akw | 0.558824 | -7.57 | O=C1NCNc2ccccc12 | 11 |
| 3cth_ligand_2_6.mol2 | 3cth | 0.556818 | -7.60 | C(=O)(NC(=O)Nc1cccc(c1)F)C | 14 |
| 3c1x_ligand_2_3.mol2 | 3c1x | 0.556818 | -7.34 | CC(=O)NC(=O)Nc1cc(ccc1)F | 14 |
| 3ctj_ligand_2_4.mol2 | 3ctj | 0.556818 | -7.20 | CC(=O)NC(=O)Nc1cc(F)ccc1 | 14 |
104 ,
11
