IUPAC name
N-[[[4-[[[[(4-chlorophenyl)cyclopropylmethylene]amino]oxy]methyl]phenyl]amino]carbonyl]-2,6-difluorobenzamide
SMILES
c1cc(c(c(c1)F)C(=O)NC(=O)Nc1ccc(cc1)CO/N=C(/C1CC1)c1ccc(cc1)Cl)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
flucycloxuron
IUPAC name
N-[[[4-[[[[(4-chlorophenyl)cyclopropylmethylene]amino]oxy]methyl]phenyl]amino]carbonyl]-2,6-difluorobenzamide
SMILES
c1cc(c(c(c1)F)C(=O)NC(=O)Nc1ccc(cc1)CO/N=C(/C1CC1)c1ccc(cc1)Cl)F
INCHI
InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)
FORMULA
C25H20ClF2N3O3
Common name
flucycloxuron
IUPAC name
N-[[[4-[[[[(4-chlorophenyl)cyclopropylmethylene]amino]oxy]methyl]phenyl]amino]carbonyl]-2,6-difluorobenzamide
Molecular weight
483.894
clogP
6.317
clogS
-7.137
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
83.28
Number of Rings
4
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00259 | cyclopropane |
|
C1CC1 | 0.0175 |
| FDBF00269 | 1,3-difluorobenzene |
|
Fc1cccc(c1)F | 0.0072 |
| FDBF05018 | N-methoxymethanimine |
|
CON=C | 0.0017 |
| FDBF05019 | (NZ)-N-(cyclopropylmethylidene)hydroxylamine |
|
C1(CC1)/C=N\O | 0.0003 |
| FDBF05020 | (NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine |
|
O/N=C/c1ccc(cc1)Cl | 0.0007 |
| FDBF05021 | 2,6-difluoro-N-(phenylcarbamoyl)benzamide |
|
C(=O)(NC(=O)Nc1ccccc1)c1c(cccc1F)F | 0.0007 |
| FDBF05023 | 1-(4-chlorophenyl)-N-methoxymethanimine |
|
CO/N=C/c1ccc(cc1)Cl | 0.0007 |
| FDBF05025 | N-methylidenehydroxylamine |
|
ON=C | 0.0017 |
13 ,
2
