2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C13H18BrClN2O2 — CID 119550503

IUPAC2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(Br)cc1)C1CCNC1.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-16(11-6-7-15-8-11)13(17)9-18-12-4-2-10(14)3-5-12;/h2-5,11,15H,6-9H2,1H3;1H
InChIKeyDDYUJPFYTUUHSY-UHFFFAOYSA-N
MW349.66 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119550503) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119550503
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC Name2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(Br)cc1)C1CCNC1.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-16(11-6-7-15-8-11)13(17)9-18-12-4-2-10(14)3-5-12;/h2-5,11,15H,6-9H2,1H3;1H
InChIKeyDDYUJPFYTUUHSY-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
CID 119553064
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550855
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119550503) is 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CN(C(=O)COc1ccc(Br)cc1)C1CCNC1.Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is DDYUJPFYTUUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2.ClH/c1-16(11-6-7-15-8-11)13(17)9-18-12-4-2-10(14)3-5-12;/h2-5,11,15H,6-9H2,1H3;1H.
What are the key properties of 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119550503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).