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

C11H16BrNO2 — CID 63958932

IUPAC5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO2/c1-5-11(2,3)13(4)10(14)8-6-7-9(12)15-8/h6-7H,5H2,1-4H3
InChIKeyYTNVXZDMALSIMH-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.30
Rot. Bonds3

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

5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide (PubChem CID 63958932) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide
PubChem CID63958932
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO2/c1-5-11(2,3)13(4)10(14)8-6-7-9(12)15-8/h6-7H,5H2,1-4H3
InChIKeyYTNVXZDMALSIMH-UHFFFAOYSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide (CID 63958932) is 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide is CCC(C)(C)N(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide?
The InChIKey is YTNVXZDMALSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-5-11(2,3)13(4)10(14)8-6-7-9(12)15-8/h6-7H,5H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide?
5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-methylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 63958932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).