2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide

C11H6BrClINO2 — CID 106899056

IUPAC2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccoc1Br
InChIInChI=1S/C11H6BrClINO2/c12-10-7(3-4-17-10)11(16)15-9-2-1-6(13)5-8(9)14/h1-5H,(H,15,16)
InChIKeySBDHSOPJJXYHOI-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.55
Rot. Bonds2

About 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide

2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide (PubChem CID 106899056) has the molecular formula C11H6BrClINO2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
PubChem CID106899056
Molecular FormulaC11H6BrClINO2
Molecular Weight426.44 g/mol
Exact Mass424.83
IUPAC Name2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccoc1Br
InChIInChI=1S/C11H6BrClINO2/c12-10-7(3-4-17-10)11(16)15-9-2-1-6(13)5-8(9)14/h1-5H,(H,15,16)
InChIKeySBDHSOPJJXYHOI-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'}

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Related Compounds

2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
2-bromo-N-(2,3-dichlorophenyl)furan-3-carboxamide
CID 106852540
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate
CID 106852805
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
CID 103766854
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide (CID 106899056) is 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide?
The InChIKey is SBDHSOPJJXYHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClINO2/c12-10-7(3-4-17-10)11(16)15-9-2-1-6(13)5-8(9)14/h1-5H,(H,15,16).
What are the key properties of 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide?
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-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 2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide is sourced from PubChem (CID 106899056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).