IUPAC name
N-[(acetylamino)methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILES
CCc1cccc(CC)c1N(CNC(=O)C)C(=O)CCl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
amidochlor
IUPAC name
N-[(acetylamino)methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILES
CCc1cccc(CC)c1N(CNC(=O)C)C(=O)CCl
INCHI
InChI=1S/C15H21ClN2O2/c1-4-12-7-6-8-13(5-2)15(12)18(14(20)9-16)10-17-11(3)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)
FORMULA
C15H21ClN2O2
Common name
amidochlor
IUPAC name
N-[(acetylamino)methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
Molecular weight
296.792
clogP
3.624
clogS
-4.134
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
52.9
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00027 | N-methylacetamide |
|
N(C(=O)C)C | 0.0175 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF02771 | N-(2-ethylphenyl)formamide |
|
c1(c(cccc1)NC=O)CC | 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 |
| FDBF05633 | 2-chloro-N-(2-ethylphenyl)acetamide |
|
c1c(c(ccc1)CC)NC(=O)CCl | 0.0024 |
| FDBF05649 | N-(formamidomethyl)acetamide |
|
N(C=O)CNC(=O)C | 0.0003 |
| FDBF05650 | N-(acetamidomethyl)-2-chloroacetamide |
|
N(C(=O)CCl)CNC(=O)C | 0.0003 |
12 ,
2
