IUPAC name
2-chloro-N-(ethoxymethyl)-N-(2-ethylphenyl)acetamide
SMILES
CCc1ccccc1N(COCC)C(=O)CCl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
ethachlor
IUPAC name
2-chloro-N-(ethoxymethyl)-N-(2-ethylphenyl)acetamide
SMILES
CCc1ccccc1N(COCC)C(=O)CCl
INCHI
InChI=1S/C13H18ClNO2/c1-3-11-7-5-6-8-12(11)15(10-17-4-2)13(16)9-14/h5-8H,3-4,9-10H2,1-2H3
FORMULA
C13H18ClNO2
Common name
ethachlor
IUPAC name
2-chloro-N-(ethoxymethyl)-N-(2-ethylphenyl)acetamide
Molecular weight
255.741
clogP
2.964
clogS
-3.831
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 |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF02771 | N-(2-ethylphenyl)formamide |
|
c1(c(cccc1)NC=O)CC | 0.0024 |
| FDBF04096 | N-methyl-N-phenyl-formamide |
|
O=CN(C)c1ccccc1 | 0.0024 |
| FDBF05614 | N-(hydroxymethyl)formamide |
|
C(NC=O)O | 0.0027 |
| FDBF05627 | 2-chloro-N-phenylacetamide |
|
c1c(cccc1)NC(=O)CCl | 0.0031 |
| FDBF05632 | N-(2-ethylphenyl)-N-methylformamide |
|
c1c(c(ccc1)CC)N(C=O)C | 0.0017 |
| FDBF05634 | 2-chloro-N-methyl-N-phenylacetamide |
|
c1c(cccc1)N(C(=O)CCl)C | 0.0017 |
| FDBF05847 | 2-chloroacetamide |
|
NC(=O)CCl | 0.0082 |
19 ,
2
