5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide

C10H14BrNO2 — CID 845105

IUPAC5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO2/c1-4-10(2,3)12-9(13)7-5-6-8(11)14-7/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyUWWFAFKECXRNIY-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.96
Rot. Bonds3

About 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide

5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide (PubChem CID 845105) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide
PubChem CID845105
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO2/c1-4-10(2,3)12-9(13)7-5-6-8(11)14-7/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyUWWFAFKECXRNIY-UHFFFAOYSA-N
XLogP2.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide (CID 845105) is 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide is CCC(C)(C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide?
The InChIKey is UWWFAFKECXRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-4-10(2,3)12-9(13)7-5-6-8(11)14-7/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide?
5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 845105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).