2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C21H13Cl2N3O2 — CID 46228020

IUPAC2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl2N3O2/c22-13-5-6-19(17(23)11-13)26-12-16(15-3-1-2-4-18(15)26)20(27)21(28)25-14-7-9-24-10-8-14/h1-12H,(H,24,25,28)
InChIKeyKNJWFXIDBLSGDT-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.15
Rot. Bonds4

About 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 46228020) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID46228020
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl2N3O2/c22-13-5-6-19(17(23)11-13)26-12-16(15-3-1-2-4-18(15)26)20(27)21(28)25-14-7-9-24-10-8-14/h1-12H,(H,24,25,28)
InChIKeyKNJWFXIDBLSGDT-UHFFFAOYSA-N
XLogP5.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 46228020) is 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is KNJWFXIDBLSGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-13-5-6-19(17(23)11-13)26-12-16(15-3-1-2-4-18(15)26)20(27)21(28)25-14-7-9-24-10-8-14/h1-12H,(H,24,25,28).
What are the key properties of 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 410.26 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 46228020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).