N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
Formula:C18H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide |
| MolecularFormula | C18H15N3O2Cl2 |
| Smiles | O=C(c(cc1)ccc1N(CCC1)C1=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H15Cl2N3O2/c19-14-6-3-13(16(20)10-14)11-21-22-18(25)12-4-7-15(8-5-12)23-9-1-2-17(23)24/h3-8,10-11H,1-2,9H2,(H,22,25) |
| InChIK | HYTQFRVWKWSLPO-UHFFFAOYSA-N |
| TotalMolweight | 376.242 |
| Molweight | 376.242 |
| MonoisotopicMass | 375.054131 |
| CLogP | 4.3384 |
| CLogS | -5.897 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.66 |
| Relative PSA | 0.19221 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
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