5-bromo-N-(3-iodophenyl)furan-2-carboxamide

C11H7BrINO2 — CID 7928389

IUPAC5-bromo-N-(3-iodophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(Br)o1
InChIInChI=1S/C11H7BrINO2/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChIKeyDGVPETWTTWHCLU-UHFFFAOYSA-N
MW391.99 g/mol
LogP3.90
Rot. Bonds2

About 5-bromo-N-(3-iodophenyl)furan-2-carboxamide

5-bromo-N-(3-iodophenyl)furan-2-carboxamide (PubChem CID 7928389) has the molecular formula C11H7BrINO2 and a molecular weight of 391.99 g/mol. Its IUPAC name is 5-bromo-N-(3-iodophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-iodophenyl)furan-2-carboxamide
PubChem CID7928389
Molecular FormulaC11H7BrINO2
Molecular Weight391.99 g/mol
Exact Mass390.87
IUPAC Name5-bromo-N-(3-iodophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(Br)o1
InChIInChI=1S/C11H7BrINO2/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChIKeyDGVPETWTTWHCLU-UHFFFAOYSA-N
XLogP3.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.99
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
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-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
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
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-iodophenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-iodophenyl)furan-2-carboxamide (CID 7928389) is 5-bromo-N-(3-iodophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-iodophenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-iodophenyl)furan-2-carboxamide is O=C(Nc1cccc(I)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-iodophenyl)furan-2-carboxamide?
The InChIKey is DGVPETWTTWHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrINO2/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15).
What are the key properties of 5-bromo-N-(3-iodophenyl)furan-2-carboxamide?
5-bromo-N-(3-iodophenyl)furan-2-carboxamide has a molecular weight of 391.99 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-iodophenyl)furan-2-carboxamide is sourced from PubChem (CID 7928389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).