N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-2-fluorobenzamide
Formula:C23H16NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-2-fluorobenzamide |
| MolecularFormula | C23H16NO4F |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)ccc1NC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C23H16FNO4/c24-19-4-2-1-3-18(19)23(27)25-17-9-7-16(8-10-17)20(26)11-5-15-6-12-21-22(13-15)29-14-28-21/h1-13H,14H2,(H,25,27) |
| InChIK | MRFSKCHLULWRNQ-UHFFFAOYSA-N |
| TotalMolweight | 389.381 |
| Molweight | 389.381 |
| MonoisotopicMass | 389.106337 |
| CLogP | 4.6635 |
| CLogS | -6.377 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.85 |
| Relative PSA | 0.19648 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | 0.58102 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-2-fluorobenzamide | 2 - N-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]-2-fluorobenzamide
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