5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide

C11H16BrNO3 — CID 103750870

IUPAC5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO3/c1-7(2)8(5-6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyPJSHBKBJBMBZSV-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.18
Rot. Bonds5

About 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide

5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide (PubChem CID 103750870) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
PubChem CID103750870
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO3/c1-7(2)8(5-6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyPJSHBKBJBMBZSV-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
CID 129416601
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
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355672
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide (CID 103750870) is 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide is CC(C)C(CCO)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide?
The InChIKey is PJSHBKBJBMBZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-7(2)8(5-6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide?
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 103750870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).