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 |
|---|---|---|---|---|---|
| 3bv3_ligand_1_2.mol2 | 3bv3 | 0.805556 | -7.14 | c1c(ccc(c1)NC=O)C | 10 |
| 3byu_ligand_1_0.mol2 | 3byu | 0.805556 | -7.14 | N(C=O)c1ccc(cc1)C | 10 |
| 2osc_ligand_1_0.mol2 | 2osc | 0.805556 | -7.12 | N(C=O)c1ccc(cc1)C | 10 |
| 3d83_ligand_1_4.mol2 | 3d83 | 0.805556 | -7.11 | c1c(ccc(c1)NC=O)C | 10 |
| 3g6h_ligand_1_8.mol2 | 3g6h | 0.805556 | -7.11 | c1cc(ccc1C)NC=O | 10 |
| 2hz0_ligand_2_7.mol2 | 2hz0 | 0.805556 | -7.10 | C(=O)Nc1ccc(cc1)C | 10 |
| 3g6g_ligand_1_7.mol2 | 3g6g | 0.805556 | -7.08 | c1(ccc(cc1)C)NC=O | 10 |
| 3ik3_ligand_2_12.mol2 | 3ik3 | 0.805556 | -6.94 | C(=O)Nc1ccc(cc1)C | 10 |
307 ,
31
