Common name
2-chloro-N-prop-2-enylacetamide
IUPAC name
2-chloro-N-prop-2-enylacetamide
SMILES
C(Cl)C(=O)NCC=C
Common name
2-chloro-N-prop-2-enylacetamide
IUPAC name
2-chloro-N-prop-2-enylacetamide
SMILES
C(Cl)C(=O)NCC=C
INCHI
InChI=1S/C5H8ClNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
FORMULA
C5H8ClNO
Common name
2-chloro-N-prop-2-enylacetamide
IUPAC name
2-chloro-N-prop-2-enylacetamide
Molecular weight
133.576
clogP
0.979
clogS
-1.719
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02351 | allidochlor |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_3_454.mol2 | 4djo | 0.72 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.72 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 2zu5_ligand_4_1254.mol2 | 2zu5 | 0.708333 | -5.40 | C=CCNC(=O)C | 7 |
| 2gde_ligand_3_186.mol2 | 2gde | 0.68 | -5.30 | N(C(=O)C)CCCl | 7 |
| 2zu5_ligand_5_4201.mol2 | 2zu5 | 0.653846 | -5.80 | C=C[C@@H](NC(=O)C)C | 8 |
| 4gm3_ligand_5_2072.mol2 | 4gm3 | 0.642857 | -5.96 | C(=O)(NC/C=C/C)C | 8 |
| 4o1b_ligand_2_18.mol2 | 4o1b | 0.64 | -6.42 | N(C(=O)C=C)CC | 7 |
| 2gvj_ligand_2_18.mol2 | 2gvj | 0.64 | -6.36 | C(C)NC(=O)C=C | 7 |
| 4o1d_ligand_2_18.mol2 | 4o1d | 0.64 | -6.36 | CCNC(=O)C=C | 7 |
101 ,
11
