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 |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00028 | N-ethylformamide |
|
C(NC=O)C | 0.0065 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00169 | 1-methoxypropane |
|
CCCOC | 0.0062 |
| FDBF06529 | N-(2-ethyl-6-methylphenyl)formamide |
|
N(C=O)c1c(CC)cccc1C | 0.0014 |
| FDBF06532 | 2-chloro-N-(2-methylphenyl)acetamide |
|
C(Cl)C(=O)Nc1ccccc1C | 0.0017 |
| FDBF06535 | N-[(2S)-1-methoxypropan-2-yl]formamide |
|
C(OC)[C@@H](NC=O)C | 0.0014 |
| FDBF06536 | 2-chloro-N-propan-2-ylacetamide |
|
C(Cl)C(=O)NC(C)C | 0.0024 |
16 ,
2
