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

C13H11N3O5 — CID 5334509

IUPAC2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)C(O)c1ccccc1
InChIInChI=1S/C13H11N3O5/c17-12(9-4-2-1-3-5-9)13(18)15-14-8-10-6-7-11(21-10)16(19)20/h1-8,12,17H,(H,15,18)/b14-8+
InChIKeyJMRMNRJOMDDHSK-RIYZIHGNSA-N
MW289.25 g/mol
LogP1.37
Rot. Bonds5

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

2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide (PubChem CID 5334509) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
PubChem CID5334509
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)C(O)c1ccccc1
InChIInChI=1S/C13H11N3O5/c17-12(9-4-2-1-3-5-9)13(18)15-14-8-10-6-7-11(21-10)16(19)20/h1-8,12,17H,(H,15,18)/b14-8+
InChIKeyJMRMNRJOMDDHSK-RIYZIHGNSA-N
XLogP1.37
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide (CID 5334509) is 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is JMRMNRJOMDDHSK-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-12(9-4-2-1-3-5-9)13(18)15-14-8-10-6-7-11(21-10)16(19)20/h1-8,12,17H,(H,15,18)/b14-8+.
What are the key properties of 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide?
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 289.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5334509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).