5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide

C15H11BrN2O2 — CID 47158335

IUPAC5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)c1ccc(Br)o1
InChIInChI=1S/C15H11BrN2O2/c16-14-7-6-13(20-14)15(19)17-11-4-3-5-12(10-11)18-8-1-2-9-18/h1-10H,(H,17,19)
InChIKeyZJXSCBZKCNGDSA-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.09
Rot. Bonds3

About 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide

5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide (PubChem CID 47158335) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
PubChem CID47158335
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)c1ccc(Br)o1
InChIInChI=1S/C15H11BrN2O2/c16-14-7-6-13(20-14)15(19)17-11-4-3-5-12(10-11)18-8-1-2-9-18/h1-10H,(H,17,19)
InChIKeyZJXSCBZKCNGDSA-UHFFFAOYSA-N
XLogP4.09
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
CID 47093125
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
CID 17204534
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55951161
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide (CID 47158335) is 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide?
The InChIKey is ZJXSCBZKCNGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-14-7-6-13(20-14)15(19)17-11-4-3-5-12(10-11)18-8-1-2-9-18/h1-10H,(H,17,19).
What are the key properties of 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide?
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 47158335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).