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 |
|---|---|---|---|---|
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF02771 | N-(2-ethylphenyl)formamide |
|
c1(c(cccc1)NC=O)CC | 0.0024 |
| FDBF05619 | 2-chloro-N-(hydroxymethyl)acetamide |
|
C(NC(=O)CCl)O | 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 |
| FDBF05634 | 2-chloro-N-methyl-N-phenylacetamide |
|
c1c(cccc1)N(C(=O)CCl)C | 0.0017 |
27 ,
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