About N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 3726283) has the molecular formula C24H16FN5O5
and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.
Molecular Properties
| Compound Name | N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
|---|
| PubChem CID | 3726283 |
|---|
| Molecular Formula | C24H16FN5O5 |
|---|
| Molecular Weight | 473.42 g/mol |
|---|
| Exact Mass | 473.11 |
|---|
| IUPAC Name | N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
|---|
| SMILES | O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 |
|---|
| InChI | InChI=1S/C24H16FN5O5/c25-16-8-11-19-18(13-16)21(24(33)26-19)28-29-23(32)20(27-22(31)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)30(34)35/h1-13,26,33H,(H,27,31)/b20-12?,29-28+ |
|---|
| InChIKey | RYNVSBVPIXULKR-SSQACNOGSA-N |
|---|
| XLogP | 5.00 |
|---|
| TPSA | 150.05 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 473.42 |
| LogP ≤ 5 | 5.00 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 3726283) is N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is RYNVSBVPIXULKR-SSQACNOGSA-N. The full InChI is InChI=1S/C24H16FN5O5/c25-16-8-11-19-18(13-16)21(24(33)26-19)28-29-23(32)20(27-22(31)15-4-2-1-3-5-15)12-14-6-9-17(10-7-14)30(34)35/h1-13,26,33H,(H,27,31)/b20-12?,29-28+.
What are the key properties of N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide?
N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 473.42 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3726283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).