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

C12H9N3O5 — CID 5337997

💊View drug profile → nifuroxazide
IUPAC4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
InChIInChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
InChIKeyYCWSUKQGVSGXJO-NTUHNPAUSA-N
MW275.22 g/mol
LogP1.66
Rot. Bonds4

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

4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 5337997) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID5337997
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
InChIInChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
InChIKeyYCWSUKQGVSGXJO-NTUHNPAUSA-N
XLogP1.66
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
N'-(2-Furylmethylene)-4-hydroxybenzohydrazide
CID 6870761
4-[(2E)-2-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]benzoic acid
CID 6899614
2-hydroxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6868808
CID 1285782
CID 1285782
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5334509
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-3-(4-propoxyphenyl)propanehydrazide
CID 9663344
N'-[(E)-(5-nitrofuran-2-yl)methylidene]cyclopentanecarbohydrazide
CID 25237242
N'-[(5-methyl-2-furyl)methylene]-3-nitrobenzohydrazide
CID 6871954
Nifuroxazide EP Impurity E
CID 5390108
N'-[(5-nitro-2-furyl)methylene]benzohydrazide
CID 5331853
Benzoic acid, 3-nitro-, (2-furanylmethylene)hydrazide
CID 6870802

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 5337997) is 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is YCWSUKQGVSGXJO-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+.
What are the key properties of 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 275.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5337997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).