Common name
2-chloro-N-(2,6-dimethylphenyl)-N-methylacetamide
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-methylacetamide
SMILES
c1(c(cccc1C)C)N(C(=O)CCl)C
Common name
2-chloro-N-(2,6-dimethylphenyl)-N-methylacetamide
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-methylacetamide
SMILES
c1(c(cccc1C)C)N(C(=O)CCl)C
INCHI
InChI=1S/C11H14ClNO/c1-8-5-4-6-9(2)11(8)13(3)10(14)7-12/h4-6H,7H2,1-3H3
FORMULA
C11H14ClNO
Common name
2-chloro-N-(2,6-dimethylphenyl)-N-methylacetamide
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)-N-methylacetamide
Molecular weight
211.688
clogP
2.764
clogS
-3.418
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02412 | dimethachlor |
|
Herbicide | Herbicide |
| FDBD02415 | metazachlor |
|
Herbicide | Herbicide |
| FDBD02423 | thenylchlor |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fsl_ligand_2_4.mol2 | 4fsl | 0.688525 | -7.75 | Cc1cc(c(NC(=O)C)c(c1)Cl)C | 13 |
| 4fsl_ligand_1_2.mol2 | 4fsl | 0.677966 | -7.47 | C(=O)(Nc1c(cccc1C)Cl)C | 12 |
| 4nie_ligand_3_145.mol2 | 4nie | 0.666667 | -7.13 | CC(=O)Nc1ccc(C)cc1 | 11 |
| 3fkt_ligand_2_1.mol2 | 3fkt | 0.666667 | -6.84 | C(=O)(Nc1ccc(cc1)C)C | 11 |
| 4hj2_ligand_5_6167.mol2 | 4hj2 | 0.666667 | -6.73 | C(CCl)N(C)c1ccc(cc1)C | 12 |
| 4hj2_ligand_4_2365.mol2 | 4hj2 | 0.666667 | -6.66 | C(CCl)Nc1ccc(cc1)C | 11 |
| 1m51_ligand_2_27.mol2 | 1m51 | 0.666667 | -6.32 | Cc1ccc(cc1)NC(=O)C | 11 |
| 4j4o_ligand_3_0.mol2 | 4j4o | 0.655172 | -7.26 | c1(ccccc1CC)NC(=O)C | 12 |
| 4j4n_ligand_3_0.mol2 | 4j4n | 0.655172 | -6.47 | O=C(Nc1ccccc1CC)C | 12 |
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.653061 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
131 ,
14
