5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride

C14H16BrClN2O2 — CID 119509944

IUPAC5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H15BrN2O2.ClH/c15-10-3-4-12-9(6-10)7-13(19-12)14(18)17-8-11-2-1-5-16-11;/h3-4,6-7,11,16H,1-2,5,8H2,(H,17,18);1H
InChIKeyBHHKUIPJWZIJGR-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride

5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119509944) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119509944
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H15BrN2O2.ClH/c15-10-3-4-12-9(6-10)7-13(19-12)14(18)17-8-11-2-1-5-16-11;/h3-4,6-7,11,16H,1-2,5,8H2,(H,17,18);1H
InChIKeyBHHKUIPJWZIJGR-UHFFFAOYSA-N
XLogP3.10
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119533543
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N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104972010
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
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N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
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2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 55723615
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CID 114425694
1-(5-bromo-1-benzofuran-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63319557
5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119441290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119509944) is 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is BHHKUIPJWZIJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2.ClH/c15-10-3-4-12-9(6-10)7-13(19-12)14(18)17-8-11-2-1-5-16-11;/h3-4,6-7,11,16H,1-2,5,8H2,(H,17,18);1H.
What are the key properties of 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 359.65 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119509944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).