2-(3-formylindol-1-yl)-N-phenylacetamide

C17H14N2O2 — CID 801532

IUPAC2-(3-formylindol-1-yl)-N-phenylacetamide
SMILESO=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-12-13-10-19(16-9-5-4-8-15(13)16)11-17(21)18-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,18,21)
InChIKeyCVNRWJPNNAPGIN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.09
Rot. Bonds4

About 2-(3-formylindol-1-yl)-N-phenylacetamide

2-(3-formylindol-1-yl)-N-phenylacetamide (PubChem CID 801532) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3-formylindol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-formylindol-1-yl)-N-phenylacetamide
PubChem CID801532
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3-formylindol-1-yl)-N-phenylacetamide
SMILESO=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C17H14N2O2/c20-12-13-10-19(16-9-5-4-8-15(13)16)11-17(21)18-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,18,21)
InChIKeyCVNRWJPNNAPGIN-UHFFFAOYSA-N
XLogP3.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formylindol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-formylindol-1-yl)-N-phenylacetamide (CID 801532) is 2-(3-formylindol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-formylindol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-formylindol-1-yl)-N-phenylacetamide is O=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-formylindol-1-yl)-N-phenylacetamide?
The InChIKey is CVNRWJPNNAPGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-12-13-10-19(16-9-5-4-8-15(13)16)11-17(21)18-14-6-2-1-3-7-14/h1-10,12H,11H2,(H,18,21).
What are the key properties of 2-(3-formylindol-1-yl)-N-phenylacetamide?
2-(3-formylindol-1-yl)-N-phenylacetamide has a molecular weight of 278.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylindol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 801532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).