IUPAC name
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILES
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
butachlor
IUPAC name
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILES
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
INCHI
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
FORMULA
C17H26ClNO2
Common name
butachlor
IUPAC name
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)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 |
| FDBF00175 | 1-methoxybutane |
|
C(CCC)OC | 0.0027 |
| FDBF00416 | butan-1-ol |
|
C(CC)CO | 0.0134 |
| FDBF04096 | N-methyl-N-phenyl-formamide |
|
O=CN(C)c1ccccc1 | 0.0024 |
| FDBF05614 | N-(hydroxymethyl)formamide |
|
C(NC=O)O | 0.0027 |
| FDBF05847 | 2-chloroacetamide |
|
NC(=O)CCl | 0.0082 |
27 ,
3
