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

C13H8Cl3N3O5 — CID 3609120

IUPACN-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H8Cl3N3O5/c14-8-3-10(16)11(4-9(8)15)23-6-12(20)18-17-5-7-1-2-13(24-7)19(21)22/h1-5H,6H2,(H,18,20)
InChIKeyWGSITDUOSABXNH-UHFFFAOYSA-N
MW392.58 g/mol
LogP3.68
Rot. Bonds6

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

N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 3609120) has the molecular formula C13H8Cl3N3O5 and a molecular weight of 392.58 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID3609120
Molecular FormulaC13H8Cl3N3O5
Molecular Weight392.58 g/mol
Exact Mass390.95
IUPAC NameN-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H8Cl3N3O5/c14-8-3-10(16)11(4-9(8)15)23-6-12(20)18-17-5-7-1-2-13(24-7)19(21)22/h1-5H,6H2,(H,18,20)
InChIKeyWGSITDUOSABXNH-UHFFFAOYSA-N
XLogP3.68
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)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

2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6885676
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180889
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 28628696
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7355336
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 3609120) is N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is WGSITDUOSABXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3O5/c14-8-3-10(16)11(4-9(8)15)23-6-12(20)18-17-5-7-1-2-13(24-7)19(21)22/h1-5H,6H2,(H,18,20).
What are the key properties of N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 392.58 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 3609120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).