Common name
2-chloro-N-(2-methylphenyl)acetamide
IUPAC name
2-chloro-N-(2-methylphenyl)acetamide
SMILES
C(Cl)C(=O)Nc1ccccc1C
Common name
2-chloro-N-(2-methylphenyl)acetamide
IUPAC name
2-chloro-N-(2-methylphenyl)acetamide
SMILES
C(Cl)C(=O)Nc1ccccc1C
INCHI
InChI=1S/C9H10ClNO/c1-7-4-2-3-5-8(7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
FORMULA
C9H10ClNO
Common name
2-chloro-N-(2-methylphenyl)acetamide
IUPAC name
2-chloro-N-(2-methylphenyl)acetamide
Molecular weight
183.635
clogP
2.348
clogS
-3.200
Frequency
0.0017
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02406 | acetochlor |
|
Herbicide | Herbicide |
| FDBD02416 | metolachlor |
|
Herbicide | Herbicide |
| FDBD02417 | S-metolachlor |
|
Herbicide | Herbicide |
| FDBD02420 | propisochlor |
|
Herbicide | Herbicide |
| FDBD02422 | terbuchlor |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fsl_ligand_1_2.mol2 | 4fsl | 0.701754 | -7.47 | C(=O)(Nc1c(cccc1C)Cl)C | 12 |
| 4nie_ligand_3_145.mol2 | 4nie | 0.693878 | -7.13 | CC(=O)Nc1ccc(C)cc1 | 11 |
| 3fkt_ligand_2_1.mol2 | 3fkt | 0.693878 | -6.84 | C(=O)(Nc1ccc(cc1)C)C | 11 |
| 4hj2_ligand_5_6167.mol2 | 4hj2 | 0.693878 | -6.73 | C(CCl)N(C)c1ccc(cc1)C | 12 |
| 4hj2_ligand_4_2365.mol2 | 4hj2 | 0.693878 | -6.66 | C(CCl)Nc1ccc(cc1)C | 11 |
| 1m51_ligand_2_27.mol2 | 1m51 | 0.693878 | -6.32 | Cc1ccc(cc1)NC(=O)C | 11 |
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.680851 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.680851 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.680851 | -6.83 | N(C=O)c1ccccc1C | 10 |
| 4x3u_ligand_1_2.mol2 | 4x3u | 0.680851 | -6.70 | c1cc(c(cc1)C)NC=O | 10 |
127 ,
13
