N-[3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

C24H16FN5O5 — CID 3726283

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'}

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).