Common name
2-chloro-N-propan-2-ylacetamide
IUPAC name
2-chloro-N-propan-2-ylacetamide
SMILES
C(Cl)C(=O)NC(C)C
Common name
2-chloro-N-propan-2-ylacetamide
IUPAC name
2-chloro-N-propan-2-ylacetamide
SMILES
C(Cl)C(=O)NC(C)C
INCHI
InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
FORMULA
C5H10ClNO
Common name
2-chloro-N-propan-2-ylacetamide
IUPAC name
2-chloro-N-propan-2-ylacetamide
Molecular weight
135.592
clogP
0.817
clogS
-1.693
Frequency
0.0024
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02360 | dimethenamid |
|
Herbicide | Herbicide |
| FDBD02361 | dimethenamid-P |
|
Herbicide | Herbicide |
| FDBD02414 | ethaprochlor |
|
Herbicide | Herbicide |
| FDBD02416 | metolachlor |
|
Herbicide | Herbicide |
| FDBD02417 | S-metolachlor |
|
Herbicide | Herbicide |
| FDBD02419 | propachlor |
|
Herbicide | Herbicide |
| FDBD02424 | xylachlor |
|
Herbicide | Herbicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_3_454.mol2 | 4djo | 0.9 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.9 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 2gde_ligand_3_186.mol2 | 2gde | 0.85 | -5.30 | N(C(=O)C)CCCl | 7 |
| 4djo_ligand_2_104.mol2 | 4djo | 0.75 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.75 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.75 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 2gde_ligand_4_465.mol2 | 2gde | 0.72 | -5.36 | C(CCl)NC(=O)CC | 8 |
| 2gde_ligand_2_45.mol2 | 2gde | 0.7 | -5.15 | N(C=O)CCCl | 6 |
1023 ,
103
