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

C21H16FN3O — CID 11791788

IUPAC2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(-c2ccc(F)cc2)c2ccccc12)Nc1ccncc1
InChIInChI=1S/C21H16FN3O/c22-16-5-7-18(8-6-16)25-14-15(19-3-1-2-4-20(19)25)13-21(26)24-17-9-11-23-12-10-17/h1-12,14H,13H2,(H,23,24,26)
InChIKeyPAIOGMIJQNLYIG-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.35
Rot. Bonds4

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

2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 11791788) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID11791788
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(-c2ccc(F)cc2)c2ccccc12)Nc1ccncc1
InChIInChI=1S/C21H16FN3O/c22-16-5-7-18(8-6-16)25-14-15(19-3-1-2-4-20(19)25)13-21(26)24-17-9-11-23-12-10-17/h1-12,14H,13H2,(H,23,24,26)
InChIKeyPAIOGMIJQNLYIG-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide (CID 11791788) is 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide is O=C(Cc1cn(-c2ccc(F)cc2)c2ccccc12)Nc1ccncc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is PAIOGMIJQNLYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-16-5-7-18(8-6-16)25-14-15(19-3-1-2-4-20(19)25)13-21(26)24-17-9-11-23-12-10-17/h1-12,14H,13H2,(H,23,24,26).
What are the key properties of 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide?
2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 345.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)indol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 11791788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).