2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide

C22H16FN3O2 — CID 11624942

IUPAC2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H16FN3O2/c23-16-10-8-15(9-11-16)13-26-14-18(17-5-1-2-6-19(17)26)21(27)22(28)25-20-7-3-4-12-24-20/h1-12,14H,13H2,(H,24,25,28)
InChIKeyGOHFTUJMZHPEMS-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.05
Rot. Bonds5

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

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide (PubChem CID 11624942) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
PubChem CID11624942
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H16FN3O2/c23-16-10-8-15(9-11-16)13-26-14-18(17-5-1-2-6-19(17)26)21(27)22(28)25-20-7-3-4-12-24-20/h1-12,14H,13H2,(H,24,25,28)
InChIKeyGOHFTUJMZHPEMS-UHFFFAOYSA-N
XLogP4.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.05
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-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide (CID 11624942) is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide?
The InChIKey is GOHFTUJMZHPEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c23-16-10-8-15(9-11-16)13-26-14-18(17-5-1-2-6-19(17)26)21(27)22(28)25-20-7-3-4-12-24-20/h1-12,14H,13H2,(H,24,25,28).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide?
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide has a molecular weight of 373.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide is sourced from PubChem (CID 11624942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).