N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide

C11H8BrNO3 — CID 5090166

IUPACN-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Br)c1)c1ccco1
InChIInChI=1S/C11H8BrNO3/c12-8-6-7(3-4-9(8)14)13-11(15)10-2-1-5-16-10/h1-6,14H,(H,13,15)
InChIKeyPUESASIXKAWYSV-UHFFFAOYSA-N
MW282.09 g/mol
LogP3.00
Rot. Bonds2

About N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide

N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide (PubChem CID 5090166) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
PubChem CID5090166
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC NameN-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Br)c1)c1ccco1
InChIInChI=1S/C11H8BrNO3/c12-8-6-7(3-4-9(8)14)13-11(15)10-2-1-5-16-10/h1-6,14H,(H,13,15)
InChIKeyPUESASIXKAWYSV-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

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-(3-bromo-5-methylphenyl)furan-2-carboxamide
CID 110604733
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-[[3-bromo-4-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 141024677

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide (CID 5090166) is N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1ccc(O)c(Br)c1)c1ccco1.
What is the InChIKey of N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is PUESASIXKAWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-8-6-7(3-4-9(8)14)13-11(15)10-2-1-5-16-10/h1-6,14H,(H,13,15).
What are the key properties of N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide?
N-(3-bromo-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 N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 5090166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).