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

C13H11N3O5 — CID 6322955

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N3O5/c17-12(9-20-10-4-2-1-3-5-10)15-14-8-11-6-7-13(21-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+
InChIKeyDJYWRBMCFJDFIV-RIYZIHGNSA-N
MW289.25 g/mol
LogP1.72
Rot. Bonds6

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide (PubChem CID 6322955) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
PubChem CID6322955
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N3O5/c17-12(9-20-10-4-2-1-3-5-10)15-14-8-11-6-7-13(21-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+
InChIKeyDJYWRBMCFJDFIV-RIYZIHGNSA-N
XLogP1.72
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7355336
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6885676
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3609120
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide (CID 6322955) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide is O=C(COc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is DJYWRBMCFJDFIV-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-12(9-20-10-4-2-1-3-5-10)15-14-8-11-6-7-13(21-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 289.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 6322955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).