N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide

C14H9Cl2N3O4 — CID 108500936

IUPACN'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2N3O4/c15-8-1-6-11(16)12(7-8)18-14(21)13(20)17-9-2-4-10(5-3-9)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyMLJYQXPOWWINRV-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.48
Rot. Bonds3

About N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide

N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide (PubChem CID 108500936) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
PubChem CID108500936
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC NameN'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2N3O4/c15-8-1-6-11(16)12(7-8)18-14(21)13(20)17-9-2-4-10(5-3-9)19(22)23/h1-7H,(H,17,20)(H,18,21)
InChIKeyMLJYQXPOWWINRV-UHFFFAOYSA-N
XLogP3.48
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide 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'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N-(4-butylphenyl)-N'-(2-chloro-5-nitrophenyl)oxamide
CID 108502372
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
CID 6089933
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide (CID 108500936) is N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
The InChIKey is MLJYQXPOWWINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c15-8-1-6-11(16)12(7-8)18-14(21)13(20)17-9-2-4-10(5-3-9)19(22)23/h1-7H,(H,17,20)(H,18,21).
What are the key properties of N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide has a molecular weight of 354.15 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108500936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).