N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

C12H9N3O4 — CID 569827

IUPACN-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C12H9N3O4/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h1-8H,(H,14,16)
InChIKeyVFOAAIIORKZVIH-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.95
Rot. Bonds4

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

N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 569827) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID569827
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC NameN-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C12H9N3O4/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h1-8H,(H,14,16)
InChIKeyVFOAAIIORKZVIH-UHFFFAOYSA-N
XLogP1.95
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
CID 6146777
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(5-nitrofuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2355965

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 569827) is N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccccc1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is VFOAAIIORKZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h1-8H,(H,14,16).
What are the key properties of N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 259.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 569827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).