N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide

C13H15ClFN3O2 — CID 6293432

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O2/c1-3-18(4-2)13(20)12(19)17-16-8-9-10(14)6-5-7-11(9)15/h5-8H,3-4H2,1-2H3,(H,17,19)/b16-8-
InChIKeyNGSXRAVJZFGOFJ-PXNMLYILSA-N
MW299.73 g/mol
LogP1.80
Rot. Bonds4

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide (PubChem CID 6293432) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide
PubChem CID6293432
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3O2/c1-3-18(4-2)13(20)12(19)17-16-8-9-10(14)6-5-7-11(9)15/h5-8H,3-4H2,1-2H3,(H,17,19)/b16-8-
InChIKeyNGSXRAVJZFGOFJ-PXNMLYILSA-N
XLogP1.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.80
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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Related Compounds

2-(1-azepanyl)-N'-(2-chloro-6-fluorobenzylidene)-2-oxoacetohydrazide
CID 6871267
2-(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxoacetamide
CID 9593484
N-cyclopropyl-2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600047
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899834
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899830
N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
CID 5333338
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899852
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339213
Acetic acid, aminooxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6907742
1-Piperidineacetic acid, alpha-oxo-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589061
N'-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-N-(methylethyl)propane-1,3-di amide
CID 9594312

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide (CID 6293432) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide?
The InChIKey is NGSXRAVJZFGOFJ-PXNMLYILSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c1-3-18(4-2)13(20)12(19)17-16-8-9-10(14)6-5-7-11(9)15/h5-8H,3-4H2,1-2H3,(H,17,19)/b16-8-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide has a molecular weight of 299.73 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N',N'-diethyloxamide is sourced from PubChem (CID 6293432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).