N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide

C15H10Cl2N4O4 — CID 94833575

IUPACN'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10Cl2N4O4/c16-10-2-1-9(13(17)7-10)8-18-20-15(23)14(22)19-11-3-5-12(6-4-11)21(24)25/h1-8H,(H,19,22)(H,20,23)/b18-8-
InChIKeyZDXSTEGWFKCQGV-LSCVHKIXSA-N
MW381.18 g/mol
LogP2.99
Rot. Bonds4

About N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide

N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide (PubChem CID 94833575) has the molecular formula C15H10Cl2N4O4 and a molecular weight of 381.18 g/mol. Its IUPAC name is N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
PubChem CID94833575
Molecular FormulaC15H10Cl2N4O4
Molecular Weight381.18 g/mol
Exact Mass380.01
IUPAC NameN'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10Cl2N4O4/c16-10-2-1-9(13(17)7-10)8-18-20-15(23)14(22)19-11-3-5-12(6-4-11)21(24)25/h1-8H,(H,19,22)(H,20,23)/b18-8-
InChIKeyZDXSTEGWFKCQGV-LSCVHKIXSA-N
XLogP2.99
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'}

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Related Compounds

N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N'-(2,4-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108502754
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846395
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6049220
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
(E)-2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-nitrophenyl)prop-2-enamide
CID 6280065
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
CID 6871449

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide (CID 94833575) is N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
The InChIKey is ZDXSTEGWFKCQGV-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H10Cl2N4O4/c16-10-2-1-9(13(17)7-10)8-18-20-15(23)14(22)19-11-3-5-12(6-4-11)21(24)25/h1-8H,(H,19,22)(H,20,23)/b18-8-.
What are the key properties of N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide has a molecular weight of 381.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 94833575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).