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 |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF05450 | (1Z)-N-(methoxymethyl)methanimidic acid |
|
COCNC=O | 0.0017 |
| FDBF05611 | 2-chloro-N-methylacetamide |
|
CNC(=O)CCl | 0.0045 |
| FDBF05618 | N-(ethoxymethyl)formamide |
|
C(NC=O)OCC | 0.0014 |
| 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 |
27 ,
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