Common name
2-chloro-N-ethylacetamide
IUPAC name
2-chloro-N-ethylacetamide
SMILES
CCNC(=O)CCl
Common name
2-chloro-N-ethylacetamide
IUPAC name
2-chloro-N-ethylacetamide
SMILES
CCNC(=O)CCl
INCHI
InChI=1S/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
FORMULA
C4H8ClNO
Common name
2-chloro-N-ethylacetamide
IUPAC name
2-chloro-N-ethylacetamide
Molecular weight
121.565
clogP
0.625
clogS
-1.646
Frequency
0.0027
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02358 | CDEA |
|
Herbicide | Herbicide |
| FDBD02360 | dimethenamid |
|
Herbicide | Herbicide |
| FDBD02361 | dimethenamid-P |
|
Herbicide | Herbicide |
| FDBD02412 | dimethachlor |
|
Herbicide | Herbicide |
| FDBD02416 | metolachlor |
|
Herbicide | Herbicide |
| FDBD02417 | S-metolachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
| FDBD02421 | prynachlor |
|
Herbicide | Herbicide |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_3_454.mol2 | 4djo | 0.947368 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.947368 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 2gde_ligand_3_186.mol2 | 2gde | 0.894737 | -5.30 | N(C(=O)C)CCCl | 7 |
| 4djo_ligand_2_104.mol2 | 4djo | 0.789474 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.789474 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.789474 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 2gde_ligand_2_45.mol2 | 2gde | 0.736842 | -5.15 | N(C=O)CCCl | 6 |
| 4zow_ligand_3_0.mol2 | 4zow | 0.692308 | -6.03 | C(Cl)(Cl)C(=O)NCCO | 9 |
960 ,
97
