7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide

C16H17BrN2O3 — CID 47031357

IUPAC7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H17BrN2O3/c17-12-5-3-4-11-10-13(22-15(11)12)16(21)18-7-6-14(20)19-8-1-2-9-19/h3-5,10H,1-2,6-9H2,(H,18,21)
InChIKeyPIXWKSMJNLWAMZ-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.94
Rot. Bonds4

About 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide

7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 47031357) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID47031357
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H17BrN2O3/c17-12-5-3-4-11-10-13(22-15(11)12)16(21)18-7-6-14(20)19-8-1-2-9-19/h3-5,10H,1-2,6-9H2,(H,18,21)
InChIKeyPIXWKSMJNLWAMZ-UHFFFAOYSA-N
XLogP2.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 60651347
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034736
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 47031357) is 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide is O=C(NCCC(=O)N1CCCC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is PIXWKSMJNLWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-12-5-3-4-11-10-13(22-15(11)12)16(21)18-7-6-14(20)19-8-1-2-9-19/h3-5,10H,1-2,6-9H2,(H,18,21).
What are the key properties of 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47031357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).