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

C15H11ClN4O4 — CID 94833568

IUPACN'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
SMILESO=C(N/N=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11ClN4O4/c16-13-4-2-1-3-10(13)9-17-19-15(22)14(21)18-11-5-7-12(8-6-11)20(23)24/h1-9H,(H,18,21)(H,19,22)/b17-9-
InChIKeyBIVABAVVXUZFDY-MFOYZWKCSA-N
MW346.73 g/mol
LogP2.34
Rot. Bonds4

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

N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide (PubChem CID 94833568) has the molecular formula C15H11ClN4O4 and a molecular weight of 346.73 g/mol. Its IUPAC name is N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
PubChem CID94833568
Molecular FormulaC15H11ClN4O4
Molecular Weight346.73 g/mol
Exact Mass346.05
IUPAC NameN'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
SMILESO=C(N/N=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11ClN4O4/c16-13-4-2-1-3-10(13)9-17-19-15(22)14(21)18-11-5-7-12(8-6-11)20(23)24/h1-9H,(H,18,21)(H,19,22)/b17-9-
InChIKeyBIVABAVVXUZFDY-MFOYZWKCSA-N
XLogP2.34
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 52.34
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)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136863890
[2-[[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 5079254
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 8898963
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6030367
N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide (CID 94833568) is N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide is O=C(N/N=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
The InChIKey is BIVABAVVXUZFDY-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H11ClN4O4/c16-13-4-2-1-3-10(13)9-17-19-15(22)14(21)18-11-5-7-12(8-6-11)20(23)24/h1-9H,(H,18,21)(H,19,22)/b17-9-.
What are the key properties of N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide?
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide has a molecular weight of 346.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 94833568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).