5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide

C11H8BrNO3 — CID 973213

IUPAC5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrNO3/c12-10-6-5-9(16-10)11(15)13-7-1-3-8(14)4-2-7/h1-6,14H,(H,13,15)
InChIKeySJQMZIYMGBGMES-UHFFFAOYSA-N
MW282.09 g/mol
LogP3.00
Rot. Bonds2

About 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide

5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide (PubChem CID 973213) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
PubChem CID973213
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrNO3/c12-10-6-5-9(16-10)11(15)13-7-1-3-8(14)4-2-7/h1-6,14H,(H,13,15)
InChIKeySJQMZIYMGBGMES-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912857
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide (CID 973213) is 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is SJQMZIYMGBGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-10-6-5-9(16-10)11(15)13-7-1-3-8(14)4-2-7/h1-6,14H,(H,13,15).
What are the key properties of 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide?
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 282.09 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 973213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).