5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide

C10H12BrNO3 — CID 64997202

IUPAC5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H12BrNO3/c1-6(2)7(13)5-12-10(14)8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyUNRNUMSDBJFPSX-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.00
Rot. Bonds4

About 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide

5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide (PubChem CID 64997202) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
PubChem CID64997202
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H12BrNO3/c1-6(2)7(13)5-12-10(14)8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyUNRNUMSDBJFPSX-UHFFFAOYSA-N
XLogP2.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
5-bromo-N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 111483687
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide (CID 64997202) is 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide is CC(C)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide?
The InChIKey is UNRNUMSDBJFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-6(2)7(13)5-12-10(14)8-3-4-9(11)15-8/h3-4,6H,5H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide?
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide has a molecular weight of 274.11 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide is sourced from PubChem (CID 64997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).