2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide

C16H14N4O2 — CID 678592

IUPAC2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide
SMILES[H]/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N4O2/c17-19-15-12-8-4-5-9-13(12)20(16(15)22)10-14(21)18-11-6-2-1-3-7-11/h1-9,17,22H,10H2,(H,18,21)/b19-17+
InChIKeyURCLQIZBPAEZJP-HTXNQAPBSA-N
MW294.31 g/mol
LogP3.65
Rot. Bonds4

About 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide

2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide (PubChem CID 678592) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide
PubChem CID678592
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide
SMILES[H]/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N4O2/c17-19-15-12-8-4-5-9-13(12)20(16(15)22)10-14(21)18-11-6-2-1-3-7-11/h1-9,17,22H,10H2,(H,18,21)/b19-17+
InChIKeyURCLQIZBPAEZJP-HTXNQAPBSA-N
XLogP3.65
TPSA90.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide (CID 678592) is 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide is [H]/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide?
The InChIKey is URCLQIZBPAEZJP-HTXNQAPBSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-19-15-12-8-4-5-9-13(12)20(16(15)22)10-14(21)18-11-6-2-1-3-7-11/h1-9,17,22H,10H2,(H,18,21)/b19-17+.
What are the key properties of 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide?
2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide has a molecular weight of 294.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-diazenyl-2-hydroxyindol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 678592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).