5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide

C12H16BrNO2 — CID 55028748

IUPAC5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
SMILESO=C(NCCC1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-11-6-5-10(16-11)12(15)14-8-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15)
InChIKeyXQJLVMFZVXVCSS-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.35
Rot. Bonds4

About 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide

5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide (PubChem CID 55028748) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
PubChem CID55028748
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
SMILESO=C(NCCC1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-11-6-5-10(16-11)12(15)14-8-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15)
InChIKeyXQJLVMFZVXVCSS-UHFFFAOYSA-N
XLogP3.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972060
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
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CID 63524562
5-bromo-N-cyclopentyloxyfuran-2-carboxamide
CID 83202863
5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
CID 97180803
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
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CID 108540408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide (CID 55028748) is 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide is O=C(NCCC1CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide?
The InChIKey is XQJLVMFZVXVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-6-5-10(16-11)12(15)14-8-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15).
What are the key properties of 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide?
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide is sourced from PubChem (CID 55028748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).