Common name
2-hydroxy-N-(2,2,2-trichloroethyl)benzamide
IUPAC name
2-hydroxy-N-(2,2,2-trichloroethyl)benzamide
SMILES
C(NC(=O)c1c(cccc1)O)C(Cl)(Cl)Cl
Common name
2-hydroxy-N-(2,2,2-trichloroethyl)benzamide
IUPAC name
2-hydroxy-N-(2,2,2-trichloroethyl)benzamide
SMILES
C(NC(=O)c1c(cccc1)O)C(Cl)(Cl)Cl
INCHI
InChI=1S/C9H8Cl3NO2/c10-9(11,12)5-13-8(15)6-3-1-2-4-7(6)14/h1-4,14H,5H2,(H,13,15)
FORMULA
C9H8Cl3NO2
Common name
2-hydroxy-N-(2,2,2-trichloroethyl)benzamide
IUPAC name
2-hydroxy-N-(2,2,2-trichloroethyl)benzamide
Molecular weight
268.524
clogP
2.494
clogS
-3.520
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02956 | trichlamide |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_4_2059.mol2 | 2v12 | 0.849057 | -6.86 | CCNC(=O)c1c(cccc1)O | 12 |
| 4ngp_ligand_4_2511.mol2 | 4ngp | 0.849057 | -6.50 | CCNC(=O)c1c(cccc1)O | 12 |
| 1r6g_ligand_2_15.mol2 | 1r6g | 0.773585 | -6.82 | c1cc(c(cc1)O)C(=O)NC | 11 |
| 2v13_ligand_3_394.mol2 | 2v13 | 0.773585 | -6.63 | Oc1ccccc1C(=O)NC | 11 |
| 4nrb_ligand_2_0.mol2 | 4nrb | 0.773585 | -6.63 | Oc1c(C(=O)NC)cccc1 | 11 |
| 2v12_ligand_3_452.mol2 | 2v12 | 0.773585 | -6.58 | c1(ccccc1C(=O)NC)O | 11 |
| 4ngp_ligand_3_514.mol2 | 4ngp | 0.773585 | -6.23 | CNC(=O)c1c(cccc1)O | 11 |
| 2v13_ligand_5_4901.mol2 | 2v13 | 0.762712 | -7.40 | Oc1ccccc1C(=O)NCC(C)C | 14 |
| 2v13_ligand_4_1665.mol2 | 2v13 | 0.762712 | -7.08 | Oc1ccccc1C(=O)NCCC | 13 |
| 2v12_ligand_5_6567.mol2 | 2v12 | 0.762712 | -6.98 | C(C)CNC(=O)c1c(cccc1)O | 13 |
155 ,
16
