2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C14H20BrClN2O2 — CID 119552111

IUPAC2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(Br)cc1CC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-17(12-5-6-16-9-12)14(18)8-10-7-11(15)3-4-13(10)19-2;/h3-4,7,12,16H,5-6,8-9H2,1-2H3;1H
InChIKeyXLJKRNVDUTXTSC-UHFFFAOYSA-N
MW363.68 g/mol
LogP2.24
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119552111) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119552111
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(Br)cc1CC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-17(12-5-6-16-9-12)14(18)8-10-7-11(15)3-4-13(10)19-2;/h3-4,7,12,16H,5-6,8-9H2,1-2H3;1H
InChIKeyXLJKRNVDUTXTSC-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
2-(5-bromo-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387893
N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119554637
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119552111) is 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is COc1ccc(Br)cc1CC(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is XLJKRNVDUTXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c1-17(12-5-6-16-9-12)14(18)8-10-7-11(15)3-4-13(10)19-2;/h3-4,7,12,16H,5-6,8-9H2,1-2H3;1H.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.24, 4 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)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119552111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).