N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H21ClN2O2 — CID 119807305

IUPACN-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCN(Cc1cc2ccccc2o1)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-18(16(19)10-13-6-4-8-17-13)11-14-9-12-5-2-3-7-15(12)20-14;/h2-3,5,7,9,13,17H,4,6,8,10-11H2,1H3;1H
InChIKeyUCJMDBVPUVIWMC-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.96
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119807305) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119807305
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCN(Cc1cc2ccccc2o1)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-18(16(19)10-13-6-4-8-17-13)11-14-9-12-5-2-3-7-15(12)20-14;/h2-3,5,7,9,13,17H,4,6,8,10-11H2,1H3;1H
InChIKeyUCJMDBVPUVIWMC-UHFFFAOYSA-N
XLogP2.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119807305) is N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride is CN(Cc1cc2ccccc2o1)C(=O)CC1CCCN1.Cl.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is UCJMDBVPUVIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-18(16(19)10-13-6-4-8-17-13)11-14-9-12-5-2-3-7-15(12)20-14;/h2-3,5,7,9,13,17H,4,6,8,10-11H2,1H3;1H.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119807305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).