Common name
2-chloro-N-phenylacetamide
IUPAC name
2-chloro-N-phenylacetamide
SMILES
c1c(cccc1)NC(=O)CCl
Common name
2-chloro-N-phenylacetamide
IUPAC name
2-chloro-N-phenylacetamide
SMILES
c1c(cccc1)NC(=O)CCl
INCHI
InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
FORMULA
C8H8ClNO
Common name
2-chloro-N-phenylacetamide
IUPAC name
2-chloro-N-phenylacetamide
Molecular weight
169.608
clogP
1.875
clogS
-2.655
Frequency
0.0031
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 |
|---|---|---|---|---|
| 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 |
| FDBD02419 | propachlor |
|
Herbicide | Herbicide |
| FDBD02421 | prynachlor |
|
Herbicide | Herbicide |
9 ,
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
