N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride

C21H23ClN2O3 — CID 119551177

IUPACN-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1oc2ccccc2c1COc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-23(15-11-12-22-13-15)21(24)20-18(14-25-16-7-3-2-4-8-16)17-9-5-6-10-19(17)26-20;/h2-10,15,22H,11-14H2,1H3;1H
InChIKeyAALZEMFJTJEYES-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.87
Rot. Bonds5

About N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride

N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119551177) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119551177
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1oc2ccccc2c1COc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-23(15-11-12-22-13-15)21(24)20-18(14-25-16-7-3-2-4-8-16)17-9-5-6-10-19(17)26-20;/h2-10,15,22H,11-14H2,1H3;1H
InChIKeyAALZEMFJTJEYES-UHFFFAOYSA-N
XLogP3.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
4-fluoro-N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119554564
3-[[methyl(piperidin-4-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 61404819
N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602574
N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 46808303
N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55744913
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
CID 119553064
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 32517009

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride (CID 119551177) is N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride is CN(C(=O)c1oc2ccccc2c1COc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is AALZEMFJTJEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c1-23(15-11-12-22-13-15)21(24)20-18(14-25-16-7-3-2-4-8-16)17-9-5-6-10-19(17)26-20;/h2-10,15,22H,11-14H2,1H3;1H.
What are the key properties of N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119551177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).