3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride

C11H16BrClN2O2 — CID 119536297

IUPAC3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1occc1Br
InChIInChI=1S/C11H15BrN2O2.ClH/c12-9-3-6-16-10(9)11(15)14-5-2-8-1-4-13-7-8;/h3,6,8,13H,1-2,4-5,7H2,(H,14,15);1H
InChIKeyPVIFMPPLMHVBJA-UHFFFAOYSA-N
MW323.62 g/mol
LogP2.19
Rot. Bonds4

About 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride

3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119536297) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
PubChem CID119536297
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC Name3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1occc1Br
InChIInChI=1S/C11H15BrN2O2.ClH/c12-9-3-6-16-10(9)11(15)14-5-2-8-1-4-13-7-8;/h3,6,8,13H,1-2,4-5,7H2,(H,14,15);1H
InChIKeyPVIFMPPLMHVBJA-UHFFFAOYSA-N
XLogP2.19
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
3,4,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 119538081
7-bromo-N-(2-pyrrolidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119537484
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride (CID 119536297) is 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1occc1Br.
What is the InChIKey of 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is PVIFMPPLMHVBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c12-9-3-6-16-10(9)11(15)14-5-2-8-1-4-13-7-8;/h3,6,8,13H,1-2,4-5,7H2,(H,14,15);1H.
What are the key properties of 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119536297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).