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

C22H18FN3O — CID 10784684

IUPAC2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccccc2)c2ccc(F)cc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O/c23-18-6-7-21-20(13-18)17(12-22(27)25-19-8-10-24-11-9-19)15-26(21)14-16-4-2-1-3-5-16/h1-11,13,15H,12,14H2,(H,24,25,27)
InChIKeyQNYFNVUFLDDEJH-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.40
Rot. Bonds5

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

2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide (PubChem CID 10784684) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide
PubChem CID10784684
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccccc2)c2ccc(F)cc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O/c23-18-6-7-21-20(13-18)17(12-22(27)25-19-8-10-24-11-9-19)15-26(21)14-16-4-2-1-3-5-16/h1-11,13,15H,12,14H2,(H,24,25,27)
InChIKeyQNYFNVUFLDDEJH-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide (CID 10784684) is 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide is O=C(Cc1cn(Cc2ccccc2)c2ccc(F)cc12)Nc1ccncc1.
What is the InChIKey of 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide?
The InChIKey is QNYFNVUFLDDEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-18-6-7-21-20(13-18)17(12-22(27)25-19-8-10-24-11-9-19)15-26(21)14-16-4-2-1-3-5-16/h1-11,13,15H,12,14H2,(H,24,25,27).
What are the key properties of 2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide?
2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide has a molecular weight of 359.40 g/mol, XLogP of 4.40, 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-fluoroindol-3-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10784684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).