Common name
N-(3,4-dichlorophenyl)formamide
IUPAC name
N-(3,4-dichlorophenyl)formamide
SMILES
C(=O)Nc1cc(c(cc1)Cl)Cl
Common name
N-(3,4-dichlorophenyl)formamide
IUPAC name
N-(3,4-dichlorophenyl)formamide
SMILES
C(=O)Nc1cc(c(cc1)Cl)Cl
INCHI
InChI=1S/C7H5Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-4H,(H,10,11)
FORMULA
C7H5Cl2NO
Common name
N-(3,4-dichlorophenyl)formamide
IUPAC name
N-(3,4-dichlorophenyl)formamide
Molecular weight
190.027
clogP
2.483
clogS
-3.178
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02330 | fenoxacrim |
|
Insecticide | Insecticide |
| FDBD02403 | benzoylprop |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4i9h_ligand_1_0.mol2 | 4i9h | 0.918919 | -6.55 | N(C=O)c1cccc(c1)Cl | 10 |
| 4x5p_ligand_1_3.mol2 | 4x5p | 0.918919 | -6.05 | C(=O)Nc1cc(Cl)ccc1 | 10 |
| 4dhq_ligand_1_4.mol2 | 4dhq | 0.918919 | -5.80 | c1(cc(Cl)ccc1)NC=O | 10 |
| 2viv_ligand_1_1.mol2 | 2viv | 0.918919 | -5.74 | c1cc(Cl)cc(c1)NC=O | 10 |
| 2viw_ligand_1_2.mol2 | 2viw | 0.918919 | -5.72 | c1cc(Cl)cc(c1)NC=O | 10 |
| 4dhu_ligand_1_4.mol2 | 4dhu | 0.897436 | -5.97 | c1(c(Cl)c(Cl)ccc1)NC=O | 11 |
| 4dhs_ligand_1_4.mol2 | 4dhs | 0.871795 | -5.97 | c1(cc(Cl)cc(Cl)c1)NC=O | 11 |
| 1w83_ligand_1_3.mol2 | 1w83 | 0.864865 | -7.16 | Clc1ccc(cc1)NC=O | 10 |
| 2bqw_ligand_1_4.mol2 | 2bqw | 0.864865 | -7.11 | C(=O)Nc1ccc(cc1)Cl | 10 |
| 2xbw_ligand_1_4.mol2 | 2xbw | 0.864865 | -7.07 | C(=O)Nc1ccc(Cl)cc1 | 10 |
294 ,
30
