IUPAC name
N-[[(2Z)-2-buten-1-yloxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILES
C/C=C\COCN(C(=O)CCl)c1c(CC)cccc1CC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
butenachlor
IUPAC name
N-[[(2Z)-2-buten-1-yloxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILES
C/C=C\COCN(C(=O)CCl)c1c(CC)cccc1CC
INCHI
InChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4-
FORMULA
C17H24ClNO2
Common name
butenachlor
IUPAC name
N-[[(2Z)-2-buten-1-yloxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
Molecular weight
309.831
clogP
4.533
clogS
-4.845
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF05450 | (1Z)-N-(methoxymethyl)methanimidic acid |
|
COCNC=O | 0.0017 |
| 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 |
| FDBF05635 | 2-chloro-N-(methoxymethyl)acetamide |
|
N(C(=O)CCl)COC | 0.0017 |
| FDBF05801 | N-(hydroxymethyl)-N-phenylformamide |
|
OCN(C=O)c1ccccc1 | 0.0010 |
| FDBF05813 | (Z)-1-methoxybut-2-ene |
|
C(/C=C\C)OC | 0.0003 |
24 ,
3
