2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide

C23H19F2N3O — CID 10834293

IUPAC2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19F2N3O/c1-15-20(13-23(29)27-19-8-10-26-11-9-19)21-12-18(25)6-7-22(21)28(15)14-16-2-4-17(24)5-3-16/h2-12H,13-14H2,1H3,(H,26,27,29)
InChIKeyOPLGHOFLQVVYBK-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.85
Rot. Bonds5

About 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide

2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 10834293) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID10834293
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19F2N3O/c1-15-20(13-23(29)27-19-8-10-26-11-9-19)21-12-18(25)6-7-22(21)28(15)14-16-2-4-17(24)5-3-16/h2-12H,13-14H2,1H3,(H,26,27,29)
InChIKeyOPLGHOFLQVVYBK-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.85
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-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide (CID 10834293) is 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide is Cc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is OPLGHOFLQVVYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-15-20(13-23(29)27-19-8-10-26-11-9-19)21-12-18(25)6-7-22(21)28(15)14-16-2-4-17(24)5-3-16/h2-12H,13-14H2,1H3,(H,26,27,29).
What are the key properties of 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 391.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10834293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).