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

C9H8ClN3O2 — CID 6907742

IUPACN'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C9H8ClN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+
InChIKeyDLCJTCFPYCRHFP-LFYBBSHMSA-N
MW225.64 g/mol
LogP0.28
Rot. Bonds2

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

N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide (PubChem CID 6907742) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
PubChem CID6907742
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC NameN'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C9H8ClN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+
InChIKeyDLCJTCFPYCRHFP-LFYBBSHMSA-N
XLogP0.28
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-chloro-6-fluorophenyl)methylidene]cyclopropanecarbohydrazide
CID 5334886
4-Chlorobenzaldehyde semicarbazone
CID 9566093
1,5-Bis(2-chlorobenzylidene)carbonohydrazide
CID 9584581
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
methyl 2-[(E)-(2-chlorophenyl)methylidene]-1-hydrazinecarboxylate
CID 6861690
N'-[(4-chlorophenyl)methylene]-2-cyanoacetohydrazide
CID 6899042
Hydrazinecarboxaldehyde, ((2-chlorophenyl)methylene)-, (E)-
CID 9568570
N'-(2-Chlorobenzylidene)-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 6882506
Benzylidenehydrazine derivative, 18
CID 42618303
N-[(2,4-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 251535
N'-(4-chlorobenzylidene)-2-hydroxyacetohydrazide
CID 6895620
N'-[(E)-(2-chlorophenyl)methylidene]-2-cyanoacetohydrazide
CID 6883998

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide (CID 6907742) is N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
The InChIKey is DLCJTCFPYCRHFP-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+.
What are the key properties of N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide?
N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide has a molecular weight of 225.64 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6907742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).