Common name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide
IUPAC name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide
SMILES
C(C(=O)Nc1c(C)ccc(c1C)Cl)OC
Common name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide
IUPAC name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide
SMILES
C(C(=O)Nc1c(C)ccc(c1C)Cl)OC
INCHI
InChI=1S/C11H14ClNO2/c1-7-4-5-9(12)8(2)11(7)13-10(14)6-15-3/h4-5H,6H2,1-3H3,(H,13,14)
FORMULA
C11H14ClNO2
Common name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide
IUPAC name
N-(3-chloro-2,6-dimethylphenyl)-2-methoxyacetamide
Molecular weight
227.687
clogP
2.897
clogS
-4.026
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
1
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dhq_ligand_3_9.mol2 | 4dhq | 0.723077 | -5.75 | C(O)C(=O)Nc1cc(Cl)ccc1 | 12 |
| 4dhs_ligand_3_9.mol2 | 4dhs | 0.701493 | -5.92 | c1(cc(Cl)cc(Cl)c1)NC(=O)CO | 13 |
| 1inc_ligand_2_0.mol2 | 1inc | 0.675676 | -6.63 | CC(=O)Nc1c(C=O)c(Cl)ccc1 | 13 |
| 4dhu_ligand_3_9.mol2 | 4dhu | 0.671429 | -5.92 | c1(c(Cl)c(Cl)ccc1)NC(=O)CO | 13 |
| 4fsl_ligand_2_4.mol2 | 4fsl | 0.652778 | -7.75 | Cc1cc(c(NC(=O)C)c(c1)Cl)C | 13 |
| 4fsl_ligand_1_2.mol2 | 4fsl | 0.642857 | -7.47 | C(=O)(Nc1c(cccc1C)Cl)C | 12 |
| 3c6t_ligand_3_14.mol2 | 3c6t | 0.623188 | -7.13 | OCC(=O)Nc1ccccc1Cl | 12 |
| 4dhr_ligand_3_9.mol2 | 4dhr | 0.623188 | -5.70 | C(=O)(Nc1c(Cl)cccc1)CO | 12 |
| 4dhp_ligand_3_16.mol2 | 4dhp | 0.623188 | -5.62 | OCC(=O)Nc1ccccc1Cl | 12 |
| 1inc_ligand_1_0.mol2 | 1inc | 0.616438 | -6.43 | N(C=O)c1c(C=O)c(Cl)ccc1 | 12 |
102 ,
11
