2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide

C20H15N3O2 — CID 44596890

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O2/c24-19(17-13-21-18-6-2-1-5-16(17)18)20(25)22-14-7-9-15(10-8-14)23-11-3-4-12-23/h1-13,21H,(H,22,25)
InChIKeyGWMYNYFGFJGSQW-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.78
Rot. Bonds4

About 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide

2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 44596890) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID44596890
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O2/c24-19(17-13-21-18-6-2-1-5-16(17)18)20(25)22-14-7-9-15(10-8-14)23-11-3-4-12-23/h1-13,21H,(H,22,25)
InChIKeyGWMYNYFGFJGSQW-UHFFFAOYSA-N
XLogP3.78
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide (CID 44596890) is 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide is O=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is GWMYNYFGFJGSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(17-13-21-18-6-2-1-5-16(17)18)20(25)22-14-7-9-15(10-8-14)23-11-3-4-12-23/h1-13,21H,(H,22,25).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 44596890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).