5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide

C12H8Br2N2O3 — CID 96892276

IUPAC5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Br)o1)c1cc(Br)ccc1O
InChIInChI=1S/C12H8Br2N2O3/c13-7-1-3-10(17)9(5-7)12(18)16-15-6-8-2-4-11(14)19-8/h1-6,17H,(H,16,18)/b15-6+
InChIKeyOLEHXUJQUPJFAD-GIDUJCDVSA-N
MW388.02 g/mol
LogP3.27
Rot. Bonds3

About 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 96892276) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID96892276
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(Br)o1)c1cc(Br)ccc1O
InChIInChI=1S/C12H8Br2N2O3/c13-7-1-3-10(17)9(5-7)12(18)16-15-6-8-2-4-11(14)19-8/h1-6,17H,(H,16,18)/b15-6+
InChIKeyOLEHXUJQUPJFAD-GIDUJCDVSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 21370754
5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 126148387
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
methyl 3-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 98089013
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261
5-bromo-2-hydroxy-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 96869284
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-hydroxybenzamide
CID 56688169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide (CID 96892276) is 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1ccc(Br)o1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is OLEHXUJQUPJFAD-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c13-7-1-3-10(17)9(5-7)12(18)16-15-6-8-2-4-11(14)19-8/h1-6,17H,(H,16,18)/b15-6+.
What are the key properties of 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide 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 5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 96892276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).