N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
Formula:C21H25N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide is a drug-like molecule.
| MolName | N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide |
| MolecularFormula | C21H25N2O2Cl |
| Smiles | Cc(cc1)cc(C)c1OCC(Nc(cc1)cc(Cl)c1N1CCCCC1)=O |
| InChI | InChI=1S/C21H25ClN2O2/c1-15-6-9-20(16(2)12-15)26-14-21(25)23-17-7-8-19(18(22)13-17)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25) |
| InChIK | IWGQHMQWCDQFIO-UHFFFAOYSA-N |
| TotalMolweight | 372.895 |
| Molweight | 372.895 |
| MonoisotopicMass | 372.160455 |
| CLogP | 4.5088 |
| CLogS | -5.324 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.53 |
| Relative PSA | 0.13052 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 1.4089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide | 2 - N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
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