5-bromo-N-hexylfuran-2-carboxamide

C11H16BrNO2 — CID 2072740

IUPAC5-bromo-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO2/c1-2-3-4-5-8-13-11(14)9-6-7-10(12)15-9/h6-7H,2-5,8H2,1H3,(H,13,14)
InChIKeyWUGUFUWINKIEGB-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.35
Rot. Bonds6

About 5-bromo-N-hexylfuran-2-carboxamide

5-bromo-N-hexylfuran-2-carboxamide (PubChem CID 2072740) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-hexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-hexylfuran-2-carboxamide
PubChem CID2072740
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO2/c1-2-3-4-5-8-13-11(14)9-6-7-10(12)15-9/h6-7H,2-5,8H2,1H3,(H,13,14)
InChIKeyWUGUFUWINKIEGB-UHFFFAOYSA-N
XLogP3.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-Bromo-furan-2-carbonyl)-amino]-propionic acid
CID 655116
N-(2-Furoyl)glycine methyl ester
CID 518748
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
N-(2-adamantyl)-5-bromofuran-2-carboxamide
CID 798489
5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
N-((5-Methylfuran-2-yl)methyl)ethanamine
CID 4777647
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 2932965
N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
CID 2971387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hexylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-hexylfuran-2-carboxamide (CID 2072740) is 5-bromo-N-hexylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-hexylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-hexylfuran-2-carboxamide is CCCCCCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-hexylfuran-2-carboxamide?
The InChIKey is WUGUFUWINKIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-2-3-4-5-8-13-11(14)9-6-7-10(12)15-9/h6-7H,2-5,8H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-hexylfuran-2-carboxamide?
5-bromo-N-hexylfuran-2-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hexylfuran-2-carboxamide is sourced from PubChem (CID 2072740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).