5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide

C12H16BrNO2 — CID 2969028

IUPAC5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C12H16BrNO2/c1-14(9-5-3-2-4-6-9)12(15)10-7-8-11(13)16-10/h7-9H,2-6H2,1H3
InChIKeyBTKIOVKUFUJDTA-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide

5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide (PubChem CID 2969028) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide
PubChem CID2969028
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C12H16BrNO2/c1-14(9-5-3-2-4-6-9)12(15)10-7-8-11(13)16-10/h7-9H,2-6H2,1H3
InChIKeyBTKIOVKUFUJDTA-UHFFFAOYSA-N
XLogP3.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide (CID 2969028) is 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Br)o1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide?
The InChIKey is BTKIOVKUFUJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-14(9-5-3-2-4-6-9)12(15)10-7-8-11(13)16-10/h7-9H,2-6H2,1H3.
What are the key properties of 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide?
5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 2969028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).