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 |
|---|---|---|---|---|
| FDBF00028 | N-ethylformamide |
|
C(NC=O)C | 0.0065 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00043 | N-(2-hydroxyethyl)formamide |
|
C(CO)NC=O | 0.0065 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00169 | 1-methoxypropane |
|
CCCOC | 0.0062 |
| FDBF02111 | 1-ethoxypropane |
|
C(CC)OCC | 0.0014 |
| FDBF02771 | N-(2-ethylphenyl)formamide |
|
c1(c(cccc1)NC=O)CC | 0.0024 |
| FDBF05627 | 2-chloro-N-phenylacetamide |
|
c1c(cccc1)NC(=O)CCl | 0.0031 |
| FDBF05631 | N-(2,6-diethylphenyl)formamide |
|
c1(c(c(ccc1)CC)NC=O)CC | 0.0017 |
| FDBF05632 | N-(2-ethylphenyl)-N-methylformamide |
|
c1c(c(ccc1)CC)N(C=O)C | 0.0017 |
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