IUPAC name
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
SMILES
CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pretilachlor
IUPAC name
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
SMILES
CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
INCHI
InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
FORMULA
C17H26ClNO2
Common name
pretilachlor
IUPAC name
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Molecular weight
311.847
clogP
4.712
clogS
-5.563
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
1
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF01214 | N-(2-methoxyethyl)formamide |
|
C(COC)NC=O | 0.0007 |
| FDBF04096 | N-methyl-N-phenyl-formamide |
|
O=CN(C)c1ccccc1 | 0.0024 |
| FDBF05634 | 2-chloro-N-methyl-N-phenylacetamide |
|
c1c(cccc1)N(C(=O)CCl)C | 0.0017 |
| FDBF05847 | 2-chloroacetamide |
|
NC(=O)CCl | 0.0082 |
| FDBF05849 | 2-chloro-N-ethylacetamide |
|
CCNC(=O)CCl | 0.0027 |
27 ,
3
