5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide

C13H18BrNO2 — CID 55069127

IUPAC5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C13H18BrNO2/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyGNLKKQDYJJNLKL-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.74
Rot. Bonds3

About 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide

5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide (PubChem CID 55069127) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
PubChem CID55069127
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C13H18BrNO2/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyGNLKKQDYJJNLKL-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)furan-2-carboxamide
CID 60668708
N-(2-amino-1-cyclopentylethyl)-5-bromofuran-2-carboxamide
CID 106737570
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
CID 1292970
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
CID 4678581
5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide
CID 95782721
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide (CID 55069127) is 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(Br)o1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide?
The InChIKey is GNLKKQDYJJNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide?
5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide is sourced from PubChem (CID 55069127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).