N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide

C13H15Cl2N3O2 — CID 5339213

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-3-18(4-2)13(20)12(19)17-16-8-9-5-6-10(14)7-11(9)15/h5-8H,3-4H2,1-2H3,(H,17,19)/b16-8+
InChIKeyMJUAABVANUEMFE-LZYBPNLTSA-N
MW316.19 g/mol
LogP2.31
Rot. Bonds4

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide (PubChem CID 5339213) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
PubChem CID5339213
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-3-18(4-2)13(20)12(19)17-16-8-9-5-6-10(14)7-11(9)15/h5-8H,3-4H2,1-2H3,(H,17,19)/b16-8+
InChIKeyMJUAABVANUEMFE-LZYBPNLTSA-N
XLogP2.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide (CID 5339213) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide?
The InChIKey is MJUAABVANUEMFE-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-3-18(4-2)13(20)12(19)17-16-8-9-5-6-10(14)7-11(9)15/h5-8H,3-4H2,1-2H3,(H,17,19)/b16-8+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide has a molecular weight of 316.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide is sourced from PubChem (CID 5339213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).