(3R)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Formula:C17H21N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide |
| MolecularFormula | C17H21N2O2Br |
| Smiles | O=C([C@H](C1)CN(C2CCCCC2)C1=O)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m1/s1 |
| InChIK | MVPIURCUINFSAB-GFCCVEGCSA-N |
| TotalMolweight | 365.27 |
| Molweight | 365.27 |
| MonoisotopicMass | 364.078639 |
| CLogP | 3.0255 |
| CLogS | -4.017 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.47 |
| Relative PSA | 0.16877 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | -2.065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | this enantiomer |
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