N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide

C12H14ClN3O3 — CID 6109907

IUPACN'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O3/c1-19-7-6-14-11(17)12(18)16-15-8-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,17)(H,16,18)/b15-8+
InChIKeyHNYKZPDUNXKKHP-OVCLIPMQSA-N
MW283.72 g/mol
LogP0.55
Rot. Bonds5

About N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide

N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide (PubChem CID 6109907) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
PubChem CID6109907
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC NameN'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O3/c1-19-7-6-14-11(17)12(18)16-15-8-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,17)(H,16,18)/b15-8+
InChIKeyHNYKZPDUNXKKHP-OVCLIPMQSA-N
XLogP0.55
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 6889750
2-(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxoacetamide
CID 9593484
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339213
2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593901
2-[2-(3-chlorobenzylidene)hydrazino]-2-oxo-N-(tetrahydro-2-furanylmethyl)acetamide
CID 5336011
N-cyclopropyl-2-[(2E)-2-(2,4-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600045
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5906351
N'-[(E)-(4-chlorophenyl)methylidene]-2-(morpholin-4-yl)acetohydrazide
CID 9633104
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 122176497
2-[2-(2-fluorobenzylidene)hydrazino]-N-(2-methoxyethyl)-2-oxoacetamide
CID 5655292
2-[(2Z)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-oxo-N-(propan-2-yl)acetamide
CID 6150522
2-((4-Chlorophenyl)methylene)-N-(2-((2-hydroxyethyl)amino)ethyl)hydrazinecarboxamide
CID 9554132

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide (CID 6109907) is N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide?
The InChIKey is HNYKZPDUNXKKHP-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-19-7-6-14-11(17)12(18)16-15-8-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,17)(H,16,18)/b15-8+.
What are the key properties of N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide?
N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide has a molecular weight of 283.72 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 6109907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).