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

C14H9Cl2N3O4 — CID 108502754

IUPACN'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O4/c15-8-1-6-12(11(16)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)
InChIKeyQPVZHQRYELQNJK-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.48
Rot. Bonds3

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

N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide (PubChem CID 108502754) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
PubChem CID108502754
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC NameN'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O4/c15-8-1-6-12(11(16)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)
InChIKeyQPVZHQRYELQNJK-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'}

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Related Compounds

N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
N-[4-[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 23099046
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide (CID 108502754) is N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
The InChIKey is QPVZHQRYELQNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c15-8-1-6-12(11(16)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'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide?
N'-(2,4-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'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108502754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).