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

C12H8N4O6 — CID 6899330

IUPAC4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8N4O6/c17-12(8-1-3-9(4-2-8)15(18)19)14-13-7-10-5-6-11(22-10)16(20)21/h1-7H,(H,14,17)/b13-7+
InChIKeyMOSZCGRZQAPLQB-NTUHNPAUSA-N
MW304.22 g/mol
LogP1.86
Rot. Bonds5

About 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 6899330) has the molecular formula C12H8N4O6 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID6899330
Molecular FormulaC12H8N4O6
Molecular Weight304.22 g/mol
Exact Mass304.04
IUPAC Name4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H8N4O6/c17-12(8-1-3-9(4-2-8)15(18)19)14-13-7-10-5-6-11(22-10)16(20)21/h1-7H,(H,14,17)/b13-7+
InChIKeyMOSZCGRZQAPLQB-NTUHNPAUSA-N
XLogP1.86
TPSA140.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Nifuroxazide
CID 5337997
N-(3,4-dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide
CID 6875690
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea
CID 6870715
5-(4-Nitrophenyl)-2-furaldehyde oxime
CID 5720725
5-Nitro-2-furanacrylic N-(5-nitro-2-furfurylidene)hydrazide
CID 9577606
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6868899
4-[(2E)-2-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]benzoic acid
CID 6899614
N'-[(5-bromo-2-furyl)methylene]-3,5-bisnitrobenzohydrazide
CID 9607922
[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 5333106
2,5-dimethyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide
CID 2094278
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5334509

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 6899330) is 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is MOSZCGRZQAPLQB-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H8N4O6/c17-12(8-1-3-9(4-2-8)15(18)19)14-13-7-10-5-6-11(22-10)16(20)21/h1-7H,(H,14,17)/b13-7+.
What are the key properties of 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 304.22 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6899330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).