Common name
2-chloro-N-(2-ethylphenyl)acetamide
IUPAC name
2-chloro-N-(2-ethylphenyl)acetamide
SMILES
c1c(c(ccc1)CC)NC(=O)CCl
Common name
2-chloro-N-(2-ethylphenyl)acetamide
IUPAC name
2-chloro-N-(2-ethylphenyl)acetamide
SMILES
c1c(c(ccc1)CC)NC(=O)CCl
INCHI
InChI=1S/C10H12ClNO/c1-2-8-5-3-4-6-9(8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
FORMULA
C10H12ClNO
Common name
2-chloro-N-(2-ethylphenyl)acetamide
IUPAC name
2-chloro-N-(2-ethylphenyl)acetamide
Molecular weight
197.661
clogP
2.706
clogS
-3.609
Frequency
0.0024
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02408 | amidochlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02413 | ethachlor |
|
Herbicide | Herbicide |
| FDBD02414 | ethaprochlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4j4o_ligand_3_0.mol2 | 4j4o | 0.839286 | -7.26 | c1(ccccc1CC)NC(=O)C | 12 |
| 4j4n_ligand_3_0.mol2 | 4j4n | 0.839286 | -6.47 | O=C(Nc1ccccc1CC)C | 12 |
| 4j4o_ligand_2_4.mol2 | 4j4o | 0.714286 | -6.84 | c1(ccccc1CC)NC=O | 11 |
| 4j4n_ligand_2_4.mol2 | 4j4n | 0.714286 | -6.03 | O=CNc1ccccc1CC | 11 |
| 1bma_ligand_3_219.mol2 | 1bma | 0.661017 | -6.87 | C(=O)(Nc1ccc(C(C)C)cc1)C | 13 |
| 1elc_ligand_3_281.mol2 | 1elc | 0.661017 | -6.75 | C(=O)(Nc1ccc(C(C)C)cc1)C | 13 |
| 1elb_ligand_3_275.mol2 | 1elb | 0.661017 | -6.52 | c1(ccc(cc1)C(C)C)NC(=O)C | 13 |
| 1elc_ligand_4_705.mol2 | 1elc | 0.634921 | -6.94 | CCC(=O)Nc1ccc(C(C)C)cc1 | 14 |
| 1elb_ligand_4_705.mol2 | 1elb | 0.634921 | -6.75 | c1(ccc(cc1)C(C)C)NC(=O)CC | 14 |
| 3n3j_ligand_2_5.mol2 | 3n3j | 0.634921 | -6.17 | NC(=O)Nc1c(cccc1)C(C)C | 13 |
103 ,
11
