5-bromo-N-cyclohexylfuran-2-carboxamide

C11H14BrNO2 — CID 600329

IUPAC5-bromo-N-cyclohexylfuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKeyPIYUOQBROIUTOD-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.10
Rot. Bonds2

About 5-bromo-N-cyclohexylfuran-2-carboxamide

5-bromo-N-cyclohexylfuran-2-carboxamide (PubChem CID 600329) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-bromo-N-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexylfuran-2-carboxamide
PubChem CID600329
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name5-bromo-N-cyclohexylfuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKeyPIYUOQBROIUTOD-UHFFFAOYSA-N
XLogP3.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexylfuran-2-carboxamide (CID 600329) is 5-bromo-N-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexylfuran-2-carboxamide is O=C(NC1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-cyclohexylfuran-2-carboxamide?
The InChIKey is PIYUOQBROIUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14).
What are the key properties of 5-bromo-N-cyclohexylfuran-2-carboxamide?
5-bromo-N-cyclohexylfuran-2-carboxamide has a molecular weight of 272.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 600329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).