7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

C17H22Cl2N2O2 — CID 119556193

IUPAC7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCCNC2)oc2c(Cl)cccc12.Cl
InChIInChI=1S/C17H21ClN2O2.ClH/c1-11-13-5-2-6-14(18)16(13)22-15(11)17(21)20-9-7-12-4-3-8-19-10-12;/h2,5-6,12,19H,3-4,7-10H2,1H3,(H,20,21);1H
InChIKeyJREQNUNALCNYBS-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.94
Rot. Bonds4

About 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119556193) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119556193
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCCNC2)oc2c(Cl)cccc12.Cl
InChIInChI=1S/C17H21ClN2O2.ClH/c1-11-13-5-2-6-14(18)16(13)22-15(11)17(21)20-9-7-12-4-3-8-19-10-12;/h2,5-6,12,19H,3-4,7-10H2,1H3,(H,20,21);1H
InChIKeyJREQNUNALCNYBS-UHFFFAOYSA-N
XLogP3.94
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
CID 119557566
5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119535509
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
3,4,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 119538081
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119461945
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119556193) is 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCCC2CCCNC2)oc2c(Cl)cccc12.Cl.
What is the InChIKey of 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is JREQNUNALCNYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2.ClH/c1-11-13-5-2-6-14(18)16(13)22-15(11)17(21)20-9-7-12-4-3-8-19-10-12;/h2,5-6,12,19H,3-4,7-10H2,1H3,(H,20,21);1H.
What are the key properties of 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 357.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119556193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).