IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-[(2-methylpropoxy)methyl]acetamide
SMILES
CC(C)COCN(C(=O)CCl)c1c(C)cccc1C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
delachlor
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-[(2-methylpropoxy)methyl]acetamide
SMILES
CC(C)COCN(C(=O)CCl)c1c(C)cccc1C
INCHI
InChI=1S/C15H22ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3
FORMULA
C15H22ClNO2
Common name
delachlor
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-[(2-methylpropoxy)methyl]acetamide
Molecular weight
283.794
clogP
3.724
clogS
-4.393
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 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF05450 | (1Z)-N-(methoxymethyl)methanimidic acid |
|
COCNC=O | 0.0017 |
| FDBF05611 | 2-chloro-N-methylacetamide |
|
CNC(=O)CCl | 0.0045 |
| FDBF05619 | 2-chloro-N-(hydroxymethyl)acetamide |
|
C(NC(=O)CCl)O | 0.0024 |
| FDBF05635 | 2-chloro-N-(methoxymethyl)acetamide |
|
N(C(=O)CCl)COC | 0.0017 |
| FDBF05961 | N-(2,6-dimethylphenyl)-N-methylformamide |
|
c1(c(cccc1C)C)N(C=O)C | 0.0014 |
19 ,
2
