About N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide (PubChem CID 87012577) has the molecular formula C18H12N2O3
and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide.
Molecular Properties
| Compound Name | N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide |
| PubChem CID | 87012577 |
| Molecular Formula | C18H12N2O3 |
| Molecular Weight | 304.31 g/mol |
| Exact Mass | 304.08 |
| IUPAC Name | N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide |
| SMILES | N#Cc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1 |
| InChI | InChI=1S/C18H12N2O3/c19-12-13-4-1-2-5-16(13)23-15-9-7-14(8-10-15)20-18(21)17-6-3-11-22-17/h1-11H,(H,20,21) |
| InChIKey | YPVFMLXHSKFOIJ-UHFFFAOYSA-N |
| XLogP | 4.20 |
| TPSA | 75.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 304.31 |
| LogP ≤ 5 | 4.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide (CID 87012577) is N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide is N#Cc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
The InChIKey is YPVFMLXHSKFOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c19-12-13-4-1-2-5-16(13)23-15-9-7-14(8-10-15)20-18(21)17-6-3-11-22-17/h1-11H,(H,20,21).
What are the key properties of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 87012577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).