4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide

C12H7Br3N2O3 — CID 142499246

IUPAC4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1O)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H7Br3N2O3/c13-7-2-1-6(9(18)3-7)5-16-17-12(19)10-4-8(14)11(15)20-10/h1-5,18H,(H,17,19)
InChIKeyVJFCSYDHMJLYBK-UHFFFAOYSA-N
MW466.91 g/mol
LogP4.04
Rot. Bonds3

About 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide

4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 142499246) has the molecular formula C12H7Br3N2O3 and a molecular weight of 466.91 g/mol. Its IUPAC name is 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID142499246
Molecular FormulaC12H7Br3N2O3
Molecular Weight466.91 g/mol
Exact Mass463.80
IUPAC Name4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1O)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H7Br3N2O3/c13-7-2-1-6(9(18)3-7)5-16-17-12(19)10-4-8(14)11(15)20-10/h1-5,18H,(H,17,19)
InChIKeyVJFCSYDHMJLYBK-UHFFFAOYSA-N
XLogP4.04
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.91
LogP ≤ 54.04
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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Related Compounds

5-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765272
3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362064
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135590172
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
5-bromo-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173960
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173741
methyl N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]carbamodithioate
CID 177412067
5,7-dibromo-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376071
5-bromo-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162209

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 142499246) is 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1ccc(Br)cc1O)c1cc(Br)c(Br)o1.
What is the InChIKey of 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is VJFCSYDHMJLYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3N2O3/c13-7-2-1-6(9(18)3-7)5-16-17-12(19)10-4-8(14)11(15)20-10/h1-5,18H,(H,17,19).
What are the key properties of 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 466.91 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(4-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 142499246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).