Common name
N-(2,6-dimethylphenyl)formamide
IUPAC name
N-(2,6-dimethylphenyl)formamide
SMILES
O=CNc1c(cccc1C)C
Common name
N-(2,6-dimethylphenyl)formamide
IUPAC name
N-(2,6-dimethylphenyl)formamide
SMILES
O=CNc1c(cccc1C)C
INCHI
InChI=1S/C9H11NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-6H,1-2H3,(H,10,11)
FORMULA
C9H11NO
Common name
N-(2,6-dimethylphenyl)formamide
IUPAC name
N-(2,6-dimethylphenyl)formamide
Molecular weight
149.190
clogP
2.124
clogS
-2.698
Frequency
0.0065
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 |
|---|---|---|---|---|
| FDBD02415 | metazachlor |
|
Herbicide | Herbicide |
| FDBD02423 | thenylchlor |
|
Herbicide | Herbicide |
| FDBD02918 | benalaxyl |
|
Fungicide | Fungicide |
| FDBD02919 | benalaxyl-M |
|
Fungicide | Fungicide |
| FDBD02920 | furalaxyl |
|
Fungicide | Fungicide |
| FDBD02921 | metalaxyl |
|
Fungicide | Fungicide |
| FDBD02922 | metalaxyl-M |
|
Fungicide | Fungicide |
| FDBD02932 | ofurace |
|
Fungicide | Fungicide |
| FDBD02933 | oxadixyl |
|
Fungicide | Fungicide |
19 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.941176 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.941176 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.941176 | -6.83 | N(C=O)c1ccccc1C | 10 |
| 4x3u_ligand_1_2.mol2 | 4x3u | 0.941176 | -6.70 | c1cc(c(cc1)C)NC=O | 10 |
| 4x3u_ligand_1_7.mol2 | 4x3u | 0.941176 | -6.70 | c1(ccccc1C)NC=O | 10 |
| 4nwm_ligand_1_5.mol2 | 4nwm | 0.941176 | -6.30 | c1ccc(c(c1)NC=O)C | 10 |
| 2h9t_ligand_1_2.mol2 | 2h9t | 0.941176 | -6.15 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_7.mol2 | 2nyr | 0.941176 | -5.90 | c1(ccccc1C)NC=O | 10 |
| 4yv5_ligand_1_2.mol2 | 4yv5 | 0.941176 | -5.75 | c1cc(c(cc1)C)NC=O | 10 |
307 ,
31
