5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide

C11H6BrClINO2 — CID 103766854

IUPAC5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc(Br)o1
InChIInChI=1S/C11H6BrClINO2/c12-10-4-3-9(17-10)11(16)15-8-2-1-6(13)5-7(8)14/h1-5H,(H,15,16)
InChIKeyTVLNSYIVBDXHDM-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.55
Rot. Bonds2

About 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide

5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide (PubChem CID 103766854) has the molecular formula C11H6BrClINO2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
PubChem CID103766854
Molecular FormulaC11H6BrClINO2
Molecular Weight426.44 g/mol
Exact Mass424.83
IUPAC Name5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc(Br)o1
InChIInChI=1S/C11H6BrClINO2/c12-10-4-3-9(17-10)11(16)15-8-2-1-6(13)5-7(8)14/h1-5H,(H,15,16)
InChIKeyTVLNSYIVBDXHDM-UHFFFAOYSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 171985742
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748683
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 3473060
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide (CID 103766854) is 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide?
The InChIKey is TVLNSYIVBDXHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClINO2/c12-10-4-3-9(17-10)11(16)15-8-2-1-6(13)5-7(8)14/h1-5H,(H,15,16).
What are the key properties of 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide?
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide is sourced from PubChem (CID 103766854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).