IUPAC name
2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide
SMILES
CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
mepronil
IUPAC name
2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide
SMILES
CC(C)Oc1cccc(c1)NC(=O)c1ccccc1C
INCHI
InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
FORMULA
C17H19NO2
Common name
mepronil
IUPAC name
2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide
Molecular weight
269.338
clogP
4.182
clogS
-4.173
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
41.82
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF03690 | N-(3-hydroxyphenyl)formamide |
|
c1ccc(cc1NC=O)O | 0.0014 |
| FDBF06958 | (1Z)-N-(3-ethoxyphenyl)methanimidic acid |
|
c1c(cc(cc1)NC=O)OCC | 0.0007 |
| FDBF07148 | (1Z)-N-(3-propan-2-yloxyphenyl)methanimidic acid |
|
O(C(C)C)c1cc(ccc1)NC=O | 0.0007 |
| FDBF07317 | N-(3-hydroxyphenyl)-2-methylbenzamide |
|
Oc1cc(ccc1)NC(=O)c1c(cccc1)C | 0.0003 |
8 ,
1
