N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide

C15H10Cl2FN3O2 — CID 6874232

IUPACN-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2FN3O2/c16-10-3-6-12(17)13(7-10)20-14(22)15(23)21-19-8-9-1-4-11(18)5-2-9/h1-8H,(H,20,22)(H,21,23)/b19-8+
InChIKeyVNJAIQMOQVPVMP-UFWORHAWSA-N
MW354.17 g/mol
LogP3.22
Rot. Bonds3

About N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide (PubChem CID 6874232) has the molecular formula C15H10Cl2FN3O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide
PubChem CID6874232
Molecular FormulaC15H10Cl2FN3O2
Molecular Weight354.17 g/mol
Exact Mass353.01
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2FN3O2/c16-10-3-6-12(17)13(7-10)20-14(22)15(23)21-19-8-9-1-4-11(18)5-2-9/h1-8H,(H,20,22)(H,21,23)/b19-8+
InChIKeyVNJAIQMOQVPVMP-UFWORHAWSA-N
XLogP3.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide (CID 6874232) is N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The InChIKey is VNJAIQMOQVPVMP-UFWORHAWSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O2/c16-10-3-6-12(17)13(7-10)20-14(22)15(23)21-19-8-9-1-4-11(18)5-2-9/h1-8H,(H,20,22)(H,21,23)/b19-8+.
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide has a molecular weight of 354.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6874232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).