N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide

C12H9BrN2O2 — CID 5397633

IUPACN-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C12H9BrN2O2/c13-11-7-6-10(17-11)8-14-15-12(16)9-4-2-1-3-5-9/h1-8H,(H,15,16)/b14-8-
InChIKeyLUWJXRRTYLHWAO-ZSOIEALJSA-N
MW293.12 g/mol
LogP2.81
Rot. Bonds3

About N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide

N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide (PubChem CID 5397633) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
PubChem CID5397633
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC NameN-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C12H9BrN2O2/c13-11-7-6-10(17-11)8-14-15-12(16)9-4-2-1-3-5-9/h1-8H,(H,15,16)/b14-8-
InChIKeyLUWJXRRTYLHWAO-ZSOIEALJSA-N
XLogP2.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 171983837
1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507546
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863853
4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide
CID 11362345
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
CID 171151438
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
N-[3-[2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2858424
N,N'-bis[(5-bromofuran-2-yl)methylideneamino]octanediamide
CID 3286052
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide (CID 5397633) is N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide?
The InChIKey is LUWJXRRTYLHWAO-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-11-7-6-10(17-11)8-14-15-12(16)9-4-2-1-3-5-9/h1-8H,(H,15,16)/b14-8-.
What are the key properties of N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide?
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide has a molecular weight of 293.12 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5397633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).