2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride

C28H29ClN2O3 — CID 19746805

IUPAC2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
SMILESCl.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CC(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C28H28N2O3.ClH/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26;/h1-12,17,24H,13-16,18-19H2,(H2,29,32);1H
InChIKeyXEWONZCBQWDRTA-UHFFFAOYSA-N
MW477.00 g/mol
LogP4.02
Rot. Bonds7

About 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride

2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride (PubChem CID 19746805) has the molecular formula C28H29ClN2O3 and a molecular weight of 477.00 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
PubChem CID19746805
Molecular FormulaC28H29ClN2O3
Molecular Weight477.00 g/mol
Exact Mass476.19
IUPAC Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
SMILESCl.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CC(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C28H28N2O3.ClH/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26;/h1-12,17,24H,13-16,18-19H2,(H2,29,32);1H
InChIKeyXEWONZCBQWDRTA-UHFFFAOYSA-N
XLogP4.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.00
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride with MolForge

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Related Compounds

Darifenacin
CID 444031
Darifenacin Hydrobromide
CID 444030
2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-2,2-diphenyl-acetamide
CID 16076226
(+-)-Darifenacin
CID 72054
cis-(1S,2R)-2-(aminomethyl)-1-(1-benzofuran-5-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44449369
1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-2-(cyclopropylmethyl-methyl-amino)-ethanone
CID 10616370
3-Hydroxy Darifenacin
CID 54085540
5-Dbfpv
CID 129844558
2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 22842821
2-[1-[2-(2,3-Dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-2,2-diphenyl-acetamide
CID 11858258
2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-N-methyl-2,2-diphenyl-acetamide
CID 16076230
2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-N,N-dimethyl-2,2-diphenyl-acetamide
CID 16076231

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride?
The IUPAC name of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride (CID 19746805) is 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride.
What is the SMILES notation for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride?
The canonical SMILES for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride is Cl.NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CC(=O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride?
The InChIKey is XEWONZCBQWDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3.ClH/c29-27(32)28(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-30(18-24)19-25(31)20-11-12-26-21(17-20)14-16-33-26;/h1-12,17,24H,13-16,18-19H2,(H2,29,32);1H.
What are the key properties of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride?
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride has a molecular weight of 477.00 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride is sourced from PubChem (CID 19746805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).