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

C11H7BrFNO3 — CID 64781074

IUPAC5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H7BrFNO3/c12-10-4-3-9(17-10)11(16)14-6-1-2-8(15)7(13)5-6/h1-5,15H,(H,14,16)
InChIKeyCIWKCVLQLIRLHS-UHFFFAOYSA-N
MW300.08 g/mol
LogP3.14
Rot. Bonds2

About 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide

5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide (PubChem CID 64781074) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
PubChem CID64781074
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C11H7BrFNO3/c12-10-4-3-9(17-10)11(16)14-6-1-2-8(15)7(13)5-6/h1-5,15H,(H,14,16)
InChIKeyCIWKCVLQLIRLHS-UHFFFAOYSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 53.14
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-(3-fluoro-4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110792846
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide (CID 64781074) is 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is CIWKCVLQLIRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c12-10-4-3-9(17-10)11(16)14-6-1-2-8(15)7(13)5-6/h1-5,15H,(H,14,16).
What are the key properties of 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide?
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 300.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 64781074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).