IUPAC name
3-(3,5-dichlorophenyl)-1-(3-methyl-1-oxobutyl)-2,4-imidazolidinedione
SMILES
CC(C)CC(=O)N1CC(=O)N(c2cc(cc(c2)Cl)Cl)C1=O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
isovaledione
IUPAC name
3-(3,5-dichlorophenyl)-1-(3-methyl-1-oxobutyl)-2,4-imidazolidinedione
SMILES
CC(C)CC(=O)N1CC(=O)N(c2cc(cc(c2)Cl)Cl)C1=O
INCHI
InChI=1S/C14H14Cl2N2O3/c1-8(2)3-12(19)17-7-13(20)18(14(17)21)11-5-9(15)4-10(16)6-11/h4-6,8H,3,7H2,1-2H3
FORMULA
C14H14Cl2N2O3
Common name
isovaledione
IUPAC name
3-(3,5-dichlorophenyl)-1-(3-methyl-1-oxobutyl)-2,4-imidazolidinedione
Molecular weight
329.179
clogP
2.720
clogS
-3.606
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
57.69
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF07262 | 3-(3,5-dichlorophenyl)-2,4-dioxoimidazolidine-1-carbaldehyde |
|
c1(cc(cc(c1)Cl)Cl)N1C(=O)N(C=O)CC1=O | 0.0003 |
| FDBF07263 | 1-acetyl-3-(3,5-dichlorophenyl)imidazolidine-2,4-dione |
|
CC(=O)N1C(=O)N(c2cc(cc(c2)Cl)Cl)C(=O)C1 | 0.0003 |
4 ,
1
