5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

C15H18BrClN2O2 — CID 119533543

IUPAC5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H17BrN2O2.ClH/c16-12-1-2-13-11(7-12)8-14(20-13)15(19)18-6-4-10-3-5-17-9-10;/h1-2,7-8,10,17H,3-6,9H2,(H,18,19);1H
InChIKeyCUKQWFKSUPGJKK-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.35
Rot. Bonds4

About 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119533543) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119533543
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H17BrN2O2.ClH/c16-12-1-2-13-11(7-12)8-14(20-13)15(19)18-6-4-10-3-5-17-9-10;/h1-2,7-8,10,17H,3-6,9H2,(H,18,19);1H
InChIKeyCUKQWFKSUPGJKK-UHFFFAOYSA-N
XLogP3.35
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119509944
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119536297
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119441290
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119533543) is 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is CUKQWFKSUPGJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2.ClH/c16-12-1-2-13-11(7-12)8-14(20-13)15(19)18-6-4-10-3-5-17-9-10;/h1-2,7-8,10,17H,3-6,9H2,(H,18,19);1H.
What are the key properties of 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119533543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).