IUPAC name
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide
SMILES
CCc1cccc(C)c1N(C(C)COC)C(=O)CCl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
metolachlor
IUPAC name
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide
SMILES
CCc1cccc(C)c1N(C(C)COC)C(=O)CCl
INCHI
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
FORMULA
C15H22ClNO2
Common name
metolachlor
IUPAC name
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide
Molecular weight
283.794
clogP
3.724
clogS
-4.393
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF01731 | N-(o-tolyl)formamide |
|
O=CNc1c(cccc1)C | 0.0034 |
| FDBF05847 | 2-chloroacetamide |
|
NC(=O)CCl | 0.0082 |
| FDBF05849 | 2-chloro-N-ethylacetamide |
|
CCNC(=O)CCl | 0.0027 |
| FDBF06531 | N-ethyl-N-(2-methylphenyl)formamide |
|
N(C=O)(CC)c1ccccc1C | 0.0007 |
| FDBF06534 | N-(2-methylphenyl)-N-propan-2-ylformamide |
|
CC(N(C=O)c1ccccc1C)C | 0.0007 |
16 ,
2
