6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride

C21H23ClN2O3 — CID 119551546

IUPAC6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N(C)C3CCNC3)oc2c1.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-23(15-10-11-22-13-15)21(24)20-19(14-6-4-3-5-7-14)17-9-8-16(25-2)12-18(17)26-20;/h3-9,12,15,22H,10-11,13H2,1-2H3;1H
InChIKeyVMKIGBDWQASHFK-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.96
Rot. Bonds4

About 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride

6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119551546) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119551546
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N(C)C3CCNC3)oc2c1.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-23(15-10-11-22-13-15)21(24)20-19(14-6-4-3-5-7-14)17-9-8-16(25-2)12-18(17)26-20;/h3-9,12,15,22H,10-11,13H2,1-2H3;1H
InChIKeyVMKIGBDWQASHFK-UHFFFAOYSA-N
XLogP3.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 120947243
(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86878769
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552458
(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
CID 119374183
7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
CID 177461075
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 120817453
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride (CID 119551546) is 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride is COc1ccc2c(-c3ccccc3)c(C(=O)N(C)C3CCNC3)oc2c1.Cl.
What is the InChIKey of 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is VMKIGBDWQASHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c1-23(15-10-11-22-13-15)21(24)20-19(14-6-4-3-5-7-14)17-9-8-16(25-2)12-18(17)26-20;/h3-9,12,15,22H,10-11,13H2,1-2H3;1H.
What are the key properties of 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride?
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119551546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).