2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide

C10H14BrNO3 — CID 106854363

IUPAC2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO3/c1-6(2)8(13)5-12-10(14)7-3-4-15-9(7)11/h3-4,6,8,13H,5H2,1-2H3,(H,12,14)
InChIKeyYMAYUZWKKLRSDL-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.79
Rot. Bonds4

About 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide

2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide (PubChem CID 106854363) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
PubChem CID106854363
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO3/c1-6(2)8(13)5-12-10(14)7-3-4-15-9(7)11/h3-4,6,8,13H,5H2,1-2H3,(H,12,14)
InChIKeyYMAYUZWKKLRSDL-UHFFFAOYSA-N
XLogP1.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-chloro-3-methylbutyl)furan-3-carboxamide
CID 106856206
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(3-bromopentyl)furan-3-carboxamide
CID 106856213
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide (CID 106854363) is 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide is CC(C)C(O)CNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide?
The InChIKey is YMAYUZWKKLRSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6(2)8(13)5-12-10(14)7-3-4-15-9(7)11/h3-4,6,8,13H,5H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide?
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide is sourced from PubChem (CID 106854363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).