4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole

C15H20BrFN2 — CID 162350066

IUPAC4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole
SMILESFC1CCN(CCCN2CCc3c(Br)cccc32)C1
InChIInChI=1S/C15H20BrFN2/c16-14-3-1-4-15-13(14)6-10-19(15)8-2-7-18-9-5-12(17)11-18/h1,3-4,12H,2,5-11H2
InChIKeyGPXQVMNIVRWPOI-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.25
Rot. Bonds4

About 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole

4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole (PubChem CID 162350066) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole.

Molecular Properties

Compound Name4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole
PubChem CID162350066
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole
SMILESFC1CCN(CCCN2CCc3c(Br)cccc32)C1
InChIInChI=1S/C15H20BrFN2/c16-14-3-1-4-15-13(14)6-10-19(15)8-2-7-18-9-5-12(17)11-18/h1,3-4,12H,2,5-11H2
InChIKeyGPXQVMNIVRWPOI-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole?
The IUPAC name of 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole (CID 162350066) is 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole.
What is the SMILES notation for 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole?
The canonical SMILES for 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole is FC1CCN(CCCN2CCc3c(Br)cccc32)C1.
What is the InChIKey of 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole?
The InChIKey is GPXQVMNIVRWPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-14-3-1-4-15-13(14)6-10-19(15)8-2-7-18-9-5-12(17)11-18/h1,3-4,12H,2,5-11H2.
What are the key properties of 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole?
4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole has a molecular weight of 327.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole is sourced from PubChem (CID 162350066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).