2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone

C16H22BrNO2 — CID 106976834

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(Br)ccc2OC)CCCN1
InChIInChI=1S/C16H22BrNO2/c1-3-7-16(8-4-9-18-16)15(19)11-12-10-13(17)5-6-14(12)20-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3
InChIKeyJQKZVHRAPAPNKM-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.49
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976834) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976834
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)Cc2cc(Br)ccc2OC)CCCN1
InChIInChI=1S/C16H22BrNO2/c1-3-7-16(8-4-9-18-16)15(19)11-12-10-13(17)5-6-14(12)20-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3
InChIKeyJQKZVHRAPAPNKM-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067763
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
2-(2,6-dichlorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976775
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116607388
N-(2-methoxyphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975064
2-(3-chloro-4-fluorophenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976614
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749707
methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
1-(5-bromo-2-methoxyphenyl)decan-2-one
CID 114964534

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976834) is 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)Cc2cc(Br)ccc2OC)CCCN1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is JQKZVHRAPAPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-7-16(8-4-9-18-16)15(19)11-12-10-13(17)5-6-14(12)20-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 340.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).