IUPAC name
3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methylbenzamide
SMILES
CCC(C)(C(=O)CCl)NC(=O)c1cc(c(C)c(c1)Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
zoxamide
IUPAC name
3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methylbenzamide
SMILES
CCC(C)(C(=O)CCl)NC(=O)c1cc(c(C)c(c1)Cl)Cl
INCHI
InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
FORMULA
C14H16Cl3NO2
Common name
zoxamide
IUPAC name
3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methylbenzamide
Molecular weight
336.641
clogP
5.302
clogS
-5.399
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
49.66
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00028 | N-ethylformamide |
|
C(NC=O)C | 0.0065 |
| FDBF01331 | 2-chloroacetaldehyde |
|
O=CCCl | 0.0017 |
| FDBF07658 | (1Z)-N-[(2S)-butan-2-yl]methanimidic acid |
|
CC[C@H](C)NC=O | 0.0003 |
| FDBF07659 | (1Z)-N-[(2R)-1-oxopropan-2-yl]methanimidic acid |
|
[C@H](C)(NC=O)C=O | 0.0003 |
| FDBF07661 | (1Z)-N-[(2S)-2-methyl-1-oxobutan-2-yl]methanimidic acid |
|
CC[C@](C)(NC=O)C=O | 0.0003 |
| FDBF07662 | (1Z)-N-[(2R)-4-chloro-3-oxobutan-2-yl]methanimidic acid |
|
[C@H](C)(NC=O)C(=O)CCl | 0.0003 |
6 ,
1
