2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide

C12H9BrN2O2 — CID 25252620

IUPAC2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccoc1)c1ccccc1Br
InChIInChI=1S/C12H9BrN2O2/c13-11-4-2-1-3-10(11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,(H,15,16)/b14-7+
InChIKeySIPIPMAMSGZYQU-VGOFMYFVSA-N
MW293.12 g/mol
LogP2.81
Rot. Bonds3

About 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide

2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide (PubChem CID 25252620) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide
PubChem CID25252620
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccoc1)c1ccccc1Br
InChIInChI=1S/C12H9BrN2O2/c13-11-4-2-1-3-10(11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,(H,15,16)/b14-7+
InChIKeySIPIPMAMSGZYQU-VGOFMYFVSA-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide (CID 25252620) is 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccoc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide?
The InChIKey is SIPIPMAMSGZYQU-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-11-4-2-1-3-10(11)12(16)15-14-7-9-5-6-17-8-9/h1-8H,(H,15,16)/b14-7+.
What are the key properties of 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide?
2-bromo-N-[(E)-furan-3-ylmethylideneamino]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 2-bromo-N-[(E)-furan-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 25252620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).