2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride

C21H22ClNO3 — CID 14229736

IUPAC2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCC1)c1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C21H21NO3.ClH/c23-21(24-14-13-22-11-4-5-12-22)18-10-6-9-17-15-19(25-20(17)18)16-7-2-1-3-8-16;/h1-3,6-10,15H,4-5,11-14H2;1H
InChIKeyJOXUFWUMLFTCIN-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.77
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride

2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride (PubChem CID 14229736) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride
PubChem CID14229736
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCC1)c1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C21H21NO3.ClH/c23-21(24-14-13-22-11-4-5-12-22)18-10-6-9-17-15-19(25-20(17)18)16-7-2-1-3-8-16;/h1-3,6-10,15H,4-5,11-14H2;1H
InChIKeyJOXUFWUMLFTCIN-UHFFFAOYSA-N
XLogP4.77
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-phenyl-1-benzofuran-7-carboxamide
CID 157010763
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
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CID 13336001
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
CID 171343955
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide
CID 13420536
2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride
CID 2836409
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CID 989917

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride (CID 14229736) is 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride is Cl.O=C(OCCN1CCCC1)c1cccc2cc(-c3ccccc3)oc12.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride?
The InChIKey is JOXUFWUMLFTCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3.ClH/c23-21(24-14-13-22-11-4-5-12-22)18-10-6-9-17-15-19(25-20(17)18)16-7-2-1-3-8-16;/h1-3,6-10,15H,4-5,11-14H2;1H.
What are the key properties of 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride?
2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride has a molecular weight of 371.86 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride is sourced from PubChem (CID 14229736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).