2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole

C21H23FN2 — CID 59921018

IUPAC2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole
SMILESCC1CCCN1CCc1c(-c2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C21H23FN2/c1-15-6-5-12-24(15)13-11-19-18-9-2-3-10-20(18)23-21(19)16-7-4-8-17(22)14-16/h2-4,7-10,14-15,23H,5-6,11-13H2,1H3
InChIKeyBOHRXFHXVOKIDJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.00
Rot. Bonds4

About 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole

2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole (PubChem CID 59921018) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole
PubChem CID59921018
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole
SMILESCC1CCCN1CCc1c(-c2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C21H23FN2/c1-15-6-5-12-24(15)13-11-19-18-9-2-3-10-20(18)23-21(19)16-7-4-8-17(22)14-16/h2-4,7-10,14-15,23H,5-6,11-13H2,1H3
InChIKeyBOHRXFHXVOKIDJ-UHFFFAOYSA-N
XLogP5.00
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole?
The IUPAC name of 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole (CID 59921018) is 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole?
The canonical SMILES for 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole is CC1CCCN1CCc1c(-c2cccc(F)c2)[nH]c2ccccc12.
What is the InChIKey of 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole?
The InChIKey is BOHRXFHXVOKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c1-15-6-5-12-24(15)13-11-19-18-9-2-3-10-20(18)23-21(19)16-7-4-8-17(22)14-16/h2-4,7-10,14-15,23H,5-6,11-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole?
2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole has a molecular weight of 322.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 59921018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).