4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C12H8Br2N2O3 — CID 137361731

IUPAC4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1O)c1cc(Br)co1
InChIInChI=1S/C12H8Br2N2O3/c13-8-2-1-7(10(17)3-8)5-15-16-12(18)11-4-9(14)6-19-11/h1-6,17H,(H,16,18)/b15-5+
InChIKeyMKPJWIXDLJIBCQ-PJQLUOCWSA-N
MW388.02 g/mol
LogP3.27
Rot. Bonds3

About 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide

4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 137361731) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID137361731
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1O)c1cc(Br)co1
InChIInChI=1S/C12H8Br2N2O3/c13-8-2-1-7(10(17)3-8)5-15-16-12(18)11-4-9(14)6-19-11/h1-6,17H,(H,16,18)/b15-5+
InChIKeyMKPJWIXDLJIBCQ-PJQLUOCWSA-N
XLogP3.27
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 53.27
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 137361731) is 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(Br)cc1O)c1cc(Br)co1.
What is the InChIKey of 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is MKPJWIXDLJIBCQ-PJQLUOCWSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c13-8-2-1-7(10(17)3-8)5-15-16-12(18)11-4-9(14)6-19-11/h1-6,17H,(H,16,18)/b15-5+.
What are the key properties of 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 388.02 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 137361731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).