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 |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF05611 | 2-chloro-N-methylacetamide |
|
CNC(=O)CCl | 0.0045 |
| FDBF05633 | 2-chloro-N-(2-ethylphenyl)acetamide |
|
c1c(c(ccc1)CC)NC(=O)CCl | 0.0024 |
| FDBF06414 | N-ethyl-N-phenylformamide |
|
CCN(c1ccccc1)C=O | 0.0007 |
| FDBF06416 | 2-chloro-N-(2-hydroxyethyl)acetamide |
|
OCCNC(=O)CCl | 0.0003 |
27 ,
3
