N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C25H20N4O3 — CID 5029156

About N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 5029156) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
• PubChem CID: 5029156
• Molecular Formula: C25H20N4O3
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.15
• IUPAC Name: N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
• SMILES: Cc1cccc2c(/N=N/C(=O)C(=Cc3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12
• InChI: InChI=1S/C25H20N4O3/c1-16-9-8-14-19-21(16)27-25(32)22(19)28-29-24(31)20(15-17-10-4-2-5-11-17)26-23(30)18-12-6-3-7-13-18/h2-15,27,32H,1H3,(H,26,30)/b20-15?,29-28+
• InChIKey: KKSKIEBDJAAZCE-NOKGWYDKSA-N
• XLogP: 5.26
• TPSA: 106.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?

The IUPAC name of N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 5029156) is N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

What is the SMILES notation for N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?

The canonical SMILES for N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is Cc1cccc2c(/N=N/C(=O)C(=Cc3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12.

What is the InChIKey of N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?

The InChIKey is KKSKIEBDJAAZCE-NOKGWYDKSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-16-9-8-14-19-21(16)27-25(32)22(19)28-29-24(31)20(15-17-10-4-2-5-11-17)26-23(30)18-12-6-3-7-13-18/h2-15,27,32H,1H3,(H,26,30)/b20-15?,29-28+.

What are the key properties of N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?

N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5029156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).