N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide

C12H8BrIN2O3 — CID 137173095

IUPACN-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccco1
InChIInChI=1S/C12H8BrIN2O3/c13-8-4-7(11(17)9(14)5-8)6-15-16-12(18)10-2-1-3-19-10/h1-6,17H,(H,16,18)/b15-6+
InChIKeyLBPAHLPYROMMNH-GIDUJCDVSA-N
MW435.02 g/mol
LogP3.12
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 137173095) has the molecular formula C12H8BrIN2O3 and a molecular weight of 435.02 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
PubChem CID137173095
Molecular FormulaC12H8BrIN2O3
Molecular Weight435.02 g/mol
Exact Mass433.88
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccco1
InChIInChI=1S/C12H8BrIN2O3/c13-8-4-7(11(17)9(14)5-8)6-15-16-12(18)10-2-1-3-19-10/h1-6,17H,(H,16,18)/b15-6+
InChIKeyLBPAHLPYROMMNH-GIDUJCDVSA-N
XLogP3.12
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.02
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 137138183
1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173741
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
CID 1378674
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
4-amino-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 137089066
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide (CID 137173095) is N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccco1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is LBPAHLPYROMMNH-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H8BrIN2O3/c13-8-4-7(11(17)9(14)5-8)6-15-16-12(18)10-2-1-3-19-10/h1-6,17H,(H,16,18)/b15-6+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 435.02 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 137173095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).