Common name
2-chloro-N-methyl-N-phenylacetamide
IUPAC name
2-chloro-N-methyl-N-phenylacetamide
SMILES
c1c(cccc1)N(C(=O)CCl)C
Common name
2-chloro-N-methyl-N-phenylacetamide
IUPAC name
2-chloro-N-methyl-N-phenylacetamide
SMILES
c1c(cccc1)N(C(=O)CCl)C
INCHI
InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
FORMULA
C9H10ClNO
Common name
2-chloro-N-methyl-N-phenylacetamide
IUPAC name
2-chloro-N-methyl-N-phenylacetamide
Molecular weight
183.635
clogP
1.772
clogS
-2.334
Frequency
0.0017
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 |
|---|---|---|---|---|
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02413 | ethachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b68_ligand_1_0.mol2 | 3b68 | 0.783784 | -7.48 | c1(ccccc1)NC(=O)C | 10 |
| 3chs_ligand_2_2.mol2 | 3chs | 0.783784 | -7.46 | CC(=O)Nc1ccccc1 | 10 |
| 3chr_ligand_2_11.mol2 | 3chr | 0.783784 | -7.40 | CC(=O)Nc1ccccc1 | 10 |
| 3chq_ligand_2_15.mol2 | 3chq | 0.783784 | -7.36 | CC(=O)Nc1ccccc1 | 10 |
| 3n86_ligand_2_4.mol2 | 3n86 | 0.783784 | -7.31 | CC(=O)Nc1ccccc1 | 10 |
| 4msk_ligand_2_9.mol2 | 4msk | 0.783784 | -7.22 | c1(ccccc1)NC(=O)C | 10 |
| 5avi_ligand_1_2.mol2 | 5avi | 0.783784 | -7.22 | c1ccccc1N(C(=O)C)C | 11 |
| 4i9i_ligand_2_11.mol2 | 4i9i | 0.783784 | -7.14 | c1(ccccc1)NC(=O)C | 10 |
| 1fl3_ligand_2_9.mol2 | 1fl3 | 0.783784 | -7.13 | CC(=O)Nc1ccccc1 | 10 |
108 ,
11
