IUPAC name
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
SMILES
CCc1cccc(CC)c1N(COC)C(=O)CCl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
alachlor
IUPAC name
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
SMILES
CCc1cccc(CC)c1N(COC)C(=O)CCl
INCHI
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
FORMULA
C14H20ClNO2
Common name
alachlor
IUPAC name
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
Molecular weight
269.767
clogP
3.492
clogS
-4.366
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| 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 |
| FDBF05631 | N-(2,6-diethylphenyl)formamide |
|
c1(c(c(ccc1)CC)NC=O)CC | 0.0017 |
| 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 |
17 ,
2
