About N-[4-(3-fluoroanilino)phenyl]benzamide
N-[4-(3-fluoroanilino)phenyl]benzamide (PubChem CID 112988934) has the molecular formula C19H15FN2O
and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[4-(3-fluoroanilino)phenyl]benzamide.
Molecular Properties
| Compound Name | N-[4-(3-fluoroanilino)phenyl]benzamide |
| PubChem CID | 112988934 |
| Molecular Formula | C19H15FN2O |
| Molecular Weight | 306.34 g/mol |
| Exact Mass | 306.12 |
| IUPAC Name | N-[4-(3-fluoroanilino)phenyl]benzamide |
| SMILES | O=C(Nc1ccc(Nc2cccc(F)c2)cc1)c1ccccc1 |
| InChI | InChI=1S/C19H15FN2O/c20-15-7-4-8-18(13-15)21-16-9-11-17(12-10-16)22-19(23)14-5-2-1-3-6-14/h1-13,21H,(H,22,23) |
| InChIKey | AKVYEQOMLQDXSI-UHFFFAOYSA-N |
| XLogP | 4.82 |
| TPSA | 41.13 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 306.34 |
| LogP ≤ 5 | 4.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(3-fluoroanilino)phenyl]benzamide?
The IUPAC name of N-[4-(3-fluoroanilino)phenyl]benzamide (CID 112988934) is N-[4-(3-fluoroanilino)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-fluoroanilino)phenyl]benzamide?
The canonical SMILES for N-[4-(3-fluoroanilino)phenyl]benzamide is O=C(Nc1ccc(Nc2cccc(F)c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-fluoroanilino)phenyl]benzamide?
The InChIKey is AKVYEQOMLQDXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-15-7-4-8-18(13-15)21-16-9-11-17(12-10-16)22-19(23)14-5-2-1-3-6-14/h1-13,21H,(H,22,23).
What are the key properties of N-[4-(3-fluoroanilino)phenyl]benzamide?
N-[4-(3-fluoroanilino)phenyl]benzamide has a molecular weight of 306.34 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoroanilino)phenyl]benzamide is sourced from PubChem (CID 112988934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).