IUPAC name
(2E)-2-{2-[({[(2E,3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamide
SMILES
C/C(=NOCc1ccccc1/C(=NOC)/C(=O)NC)/C=C/c1c(cccc1Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fenaminstrobin
IUPAC name
(2E)-2-{2-[({[(2E,3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamide
SMILES
C/C(=NOCc1ccccc1/C(=NOC)/C(=O)NC)/C=C/c1c(cccc1Cl)Cl
INCHI
InChI=1S/C21H21Cl2N3O3/c1-14(11-12-17-18(22)9-6-10-19(17)23)25-29-13-15-7-4-5-8-16(15)20(26-28-3)21(27)24-2/h4-12H,13H2,1-3H3,(H,24,27)/b12-11+,25-14+,26-20+
FORMULA
C21H21Cl2N3O3
Common name
fenaminstrobin
IUPAC name
(2E)-2-{2-[({[(2E,3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamide
Molecular weight
434.316
clogP
6.217
clogS
-5.820
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
75.77
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF06996 | (E)-2-(methoxyimino)-N-methyl-2-phenylacetamide |
|
c1c(cccc1)/C(=NOC)/C(=O)NC | 0.0014 |
| FDBF06998 | (E)-2-(methoxyimino)-N-methyl-2-(o-tolyl)acetamide |
|
c1(c(cccc1)/C(=NOC)/C(=O)NC)C | 0.0010 |
| FDBF07000 | (E)-2-(methoxyimino)-N-methylacetamide |
|
C(=NOC)/C(=O)NC | 0.0014 |
| FDBF07041 | N-methoxybut-3-en-2-imine |
|
CO/N=C(\C)/C=C | 0.0007 |
| FDBF07042 | (NE)-N-but-3-en-2-ylidenehydroxylamine |
|
C/C(=N\O)/C=C | 0.0007 |
7 ,
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