2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

C21H19FN2O2 — CID 1095462

IUPAC2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccccc1F)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C21H19FN2O2/c22-18-9-3-1-8-16(18)21(26)17-13-24(19-10-4-2-7-15(17)19)14-20(25)23-11-5-6-12-23/h1-4,7-10,13H,5-6,11-12,14H2
InChIKeyFOGOZFDOPIQRNA-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.63
Rot. Bonds4

About 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 1095462) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID1095462
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccccc1F)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C21H19FN2O2/c22-18-9-3-1-8-16(18)21(26)17-13-24(19-10-4-2-7-15(17)19)14-20(25)23-11-5-6-12-23/h1-4,7-10,13H,5-6,11-12,14H2
InChIKeyFOGOZFDOPIQRNA-UHFFFAOYSA-N
XLogP3.63
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (CID 1095462) is 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(c1ccccc1F)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is FOGOZFDOPIQRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-18-9-3-1-8-16(18)21(26)17-13-24(19-10-4-2-7-15(17)19)14-20(25)23-11-5-6-12-23/h1-4,7-10,13H,5-6,11-12,14H2.
What are the key properties of 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 350.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorobenzoyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1095462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).