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

C13H10FN3O5 — CID 6911035

IUPAC2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1F)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H10FN3O5/c14-10-3-1-2-4-11(10)21-8-12(18)16-15-7-9-5-6-13(22-9)17(19)20/h1-7H,8H2,(H,16,18)/b15-7+
InChIKeyWNCNETGZLOCRRP-VIZOYTHASA-N
MW307.24 g/mol
LogP1.86
Rot. Bonds6

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

2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (PubChem CID 6911035) has the molecular formula C13H10FN3O5 and a molecular weight of 307.24 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
PubChem CID6911035
Molecular FormulaC13H10FN3O5
Molecular Weight307.24 g/mol
Exact Mass307.06
IUPAC Name2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1F)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H10FN3O5/c14-10-3-1-2-4-11(10)21-8-12(18)16-15-7-9-5-6-13(22-9)17(19)20/h1-7H,8H2,(H,16,18)/b15-7+
InChIKeyWNCNETGZLOCRRP-VIZOYTHASA-N
XLogP1.86
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 51.86
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 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide 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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3609120
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6885676
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 9316823
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317033
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (CID 6911035) is 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is O=C(COc1ccccc1F)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The InChIKey is WNCNETGZLOCRRP-VIZOYTHASA-N. The full InChI is InChI=1S/C13H10FN3O5/c14-10-3-1-2-4-11(10)21-8-12(18)16-15-7-9-5-6-13(22-9)17(19)20/h1-7H,8H2,(H,16,18)/b15-7+.
What are the key properties of 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide has a molecular weight of 307.24 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6911035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).