(E)-N-(2-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide
Formula:C19H21NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C19H21NOCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC1C2CC(C3)CC1CC3C2 |
| InChI | InChI=1S/C19H21Cl2NO/c20-16-3-1-13(17(21)10-16)2-4-18(23)22-19-14-6-11-5-12(8-14)9-15(19)7-11/h1-4,10-12,14-15,19H,5-9H2,(H,22,23) |
| InChIK | JJFPGIJXQHILOJ-UHFFFAOYSA-N |
| TotalMolweight | 350.288 |
| Molweight | 350.288 |
| MonoisotopicMass | 349.100018 |
| CLogP | 4.6861 |
| CLogS | -5.849 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.61 |
| Relative PSA | 0.097761 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.84715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-(2-adamantyl)-3-(2,4-dichlorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off