5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide

C9H12BrNO3 — CID 81049675

IUPAC5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
SMILESCC(CCO)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H12BrNO3/c1-6(4-5-12)11-9(13)7-2-3-8(10)14-7/h2-3,6,12H,4-5H2,1H3,(H,11,13)
InChIKeyHTKBQCWCDXEFMZ-UHFFFAOYSA-N
MW262.10 g/mol
LogP1.54
Rot. Bonds4

About 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide

5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide (PubChem CID 81049675) has the molecular formula C9H12BrNO3 and a molecular weight of 262.10 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
PubChem CID81049675
Molecular FormulaC9H12BrNO3
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
SMILESCC(CCO)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H12BrNO3/c1-6(4-5-12)11-9(13)7-2-3-8(10)14-7/h2-3,6,12H,4-5H2,1H3,(H,11,13)
InChIKeyHTKBQCWCDXEFMZ-UHFFFAOYSA-N
XLogP1.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide (CID 81049675) is 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide is CC(CCO)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide?
The InChIKey is HTKBQCWCDXEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3/c1-6(4-5-12)11-9(13)7-2-3-8(10)14-7/h2-3,6,12H,4-5H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide?
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide has a molecular weight of 262.10 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 81049675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).