2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C17H22BrNO — CID 79058174

IUPAC2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H22BrNO/c18-15-7-5-14(6-8-15)13-16(20)17(9-1-2-10-17)19-11-3-4-12-19/h5-8H,1-4,9-13H2
InChIKeyMPODVAQXGLGIBZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 79058174) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID79058174
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C17H22BrNO/c18-15-7-5-14(6-8-15)13-16(20)17(9-1-2-10-17)19-11-3-4-12-19/h5-8H,1-4,9-13H2
InChIKeyMPODVAQXGLGIBZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057927
1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
CID 116600671
2-(2,5-difluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79060755
2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057412
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
CID 79060746
2-(4-bromophenyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 121409675
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79059436
2-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712327
2-(4-bromophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534855

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 79058174) is 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is O=C(Cc1ccc(Br)cc1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is MPODVAQXGLGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c18-15-7-5-14(6-8-15)13-16(20)17(9-1-2-10-17)19-11-3-4-12-19/h5-8H,1-4,9-13H2.
What are the key properties of 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 336.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 79058174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).