N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide

C13H16FN3O2 — CID 5333338

IUPACN',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-3-17(4-2)13(19)12(18)16-15-9-10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18)/b15-9+
InChIKeyPNHJXMZTXIIYSW-OQLLNIDSSA-N
MW265.29 g/mol
LogP1.14
Rot. Bonds4

About N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide

N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide (PubChem CID 5333338) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
PubChem CID5333338
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-3-17(4-2)13(19)12(18)16-15-9-10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18)/b15-9+
InChIKeyPNHJXMZTXIIYSW-OQLLNIDSSA-N
XLogP1.14
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.14
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',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide (CID 5333338) is N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide is CCN(CC)C(=O)C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
The InChIKey is PNHJXMZTXIIYSW-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-3-17(4-2)13(19)12(18)16-15-9-10-5-7-11(14)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18)/b15-9+.
What are the key properties of N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide?
N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide has a molecular weight of 265.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5333338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).