Common name
N-methyl-N-phenyl-formamide
IUPAC name
N-methyl-N-phenyl-formamide
SMILES
O=CN(C)c1ccccc1
Common name
N-methyl-N-phenyl-formamide
IUPAC name
N-methyl-N-phenyl-formamide
SMILES
O=CN(C)c1ccccc1
INCHI
InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3
FORMULA
C8H9NO
Common name
N-methyl-N-phenyl-formamide
IUPAC name
N-methyl-N-phenyl-formamide
Molecular weight
135.163
clogP
1.083
clogS
-1.280
Frequency
0.0024
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01662 | Nintedanib |
|
Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; | Nintedanib is indicated for the treatment of idiopathic pulmonary fibrosis (IPF). |
| FDBD02393 | mefenacet |
|
Herbicide | Herbicide |
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02413 | ethachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i80_ligand_1_1.mol2 | 2i80 | 1 | -7.09 | N(C=O)c1ccccc1 | 9 |
| 3chs_ligand_1_3.mol2 | 3chs | 1 | -7.02 | O=CNc1ccccc1 | 9 |
| 4yv0_ligand_1_0.mol2 | 4yv0 | 1 | -7.00 | C(=O)N(C)c1ccccc1 | 10 |
| 3chp_ligand_1_0.mol2 | 3chp | 1 | -6.98 | C(=O)Nc1ccccc1 | 9 |
| 3chr_ligand_1_3.mol2 | 3chr | 1 | -6.96 | C(=O)Nc1ccccc1 | 9 |
| 3cho_ligand_1_3.mol2 | 3cho | 1 | -6.92 | N(C=O)c1ccccc1 | 9 |
| 3chq_ligand_1_3.mol2 | 3chq | 1 | -6.92 | N(C=O)c1ccccc1 | 9 |
| 3n86_ligand_1_3.mol2 | 3n86 | 1 | -6.90 | O=CNc1ccccc1 | 9 |
| 5ajw_ligand_1_1.mol2 | 5ajw | 1 | -6.89 | c1(ccccc1)NC=O | 9 |
212 ,
22
