Common name
N-(2,6-dimethylphenyl)-N-methylformamide
IUPAC name
N-(2,6-dimethylphenyl)-N-methylformamide
SMILES
c1(c(cccc1C)C)N(C=O)C
Common name
N-(2,6-dimethylphenyl)-N-methylformamide
IUPAC name
N-(2,6-dimethylphenyl)-N-methylformamide
SMILES
c1(c(cccc1C)C)N(C=O)C
INCHI
InChI=1S/C10H13NO/c1-8-5-4-6-9(2)10(8)11(3)7-12/h4-7H,1-3H3
FORMULA
C10H13NO
Common name
N-(2,6-dimethylphenyl)-N-methylformamide
IUPAC name
N-(2,6-dimethylphenyl)-N-methylformamide
Molecular weight
163.216
clogP
2.032
clogS
-2.380
Frequency
0.0014
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 |
|---|---|---|---|---|
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02412 | dimethachlor |
|
Herbicide | Herbicide |
| FDBD02415 | metazachlor |
|
Herbicide | Herbicide |
| FDBD02423 | thenylchlor |
|
Herbicide | Herbicide |
4 ,
1
| 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
