5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide

C15H16BrNO2 — CID 2991779

IUPAC5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H16BrNO2/c16-11-6-7-13-10(8-11)9-14(19-13)15(18)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,17,18)
InChIKeyQEVZUTQSBIFVEH-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.26
Rot. Bonds2

About 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide

5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide (PubChem CID 2991779) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide
PubChem CID2991779
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H16BrNO2/c16-11-6-7-13-10(8-11)9-14(19-13)15(18)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,17,18)
InChIKeyQEVZUTQSBIFVEH-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide (CID 2991779) is 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide is O=C(NC1CCCCC1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide?
The InChIKey is QEVZUTQSBIFVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-11-6-7-13-10(8-11)9-14(19-13)15(18)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,17,18).
What are the key properties of 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide?
5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2991779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).