2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide

C23H20FN3O — CID 11793726

IUPAC2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccccc1
InChIInChI=1S/C23H20FN3O/c1-16-20(14-23(28)26-19-9-11-25-12-10-19)21-13-18(24)7-8-22(21)27(16)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyAYPZTEDFIUECST-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.71
Rot. Bonds5

About 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide

2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide (PubChem CID 11793726) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide
PubChem CID11793726
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccccc1
InChIInChI=1S/C23H20FN3O/c1-16-20(14-23(28)26-19-9-11-25-12-10-19)21-13-18(24)7-8-22(21)27(16)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyAYPZTEDFIUECST-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide (CID 11793726) is 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide is Cc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide?
The InChIKey is AYPZTEDFIUECST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-16-20(14-23(28)26-19-9-11-25-12-10-19)21-13-18(24)7-8-22(21)27(16)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,26,28).
What are the key properties of 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide?
2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide has a molecular weight of 373.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 11793726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).