2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide

C13H9Br2N3O5 — CID 5089749

IUPAC2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9Br2N3O5/c14-8-1-3-11(10(15)5-8)22-7-12(19)17-16-6-9-2-4-13(23-9)18(20)21/h1-6H,7H2,(H,17,19)
InChIKeyFVHAMBPQODPJAO-UHFFFAOYSA-N
MW447.04 g/mol
LogP3.24
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide (PubChem CID 5089749) has the molecular formula C13H9Br2N3O5 and a molecular weight of 447.04 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
PubChem CID5089749
Molecular FormulaC13H9Br2N3O5
Molecular Weight447.04 g/mol
Exact Mass444.89
IUPAC Name2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9Br2N3O5/c14-8-1-3-11(10(15)5-8)22-7-12(19)17-16-6-9-2-4-13(23-9)18(20)21/h1-6H,7H2,(H,17,19)
InChIKeyFVHAMBPQODPJAO-UHFFFAOYSA-N
XLogP3.24
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.04
LogP ≤ 53.24
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-(2,4-dibromophenoxy)-N-[(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-(2,4,6-tribromophenoxy)acetamide
CID 6885676
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3609120
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 28628696
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
2-(2,4-dibromophenoxy)-N-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126021004
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 41270248
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-bromo-4-nitrophenoxy)acetamide
CID 135643548
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6875539
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 19208018
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 99654874

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide (CID 5089749) is 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide is O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide?
The InChIKey is FVHAMBPQODPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O5/c14-8-1-3-11(10(15)5-8)22-7-12(19)17-16-6-9-2-4-13(23-9)18(20)21/h1-6H,7H2,(H,17,19).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide has a molecular weight of 447.04 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5089749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).