N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide

C12H13ClFN3O2 — CID 6150522

IUPACN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3O2/c1-7(2)16-11(18)12(19)17-15-6-8-9(13)4-3-5-10(8)14/h3-7H,1-2H3,(H,16,18)(H,17,19)/b15-6-
InChIKeyHTLIRRIPBFWUQS-UUASQNMZSA-N
MW285.71 g/mol
LogP1.45
Rot. Bonds3

About N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 6150522) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide
PubChem CID6150522
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3O2/c1-7(2)16-11(18)12(19)17-15-6-8-9(13)4-3-5-10(8)14/h3-7H,1-2H3,(H,16,18)(H,17,19)/b15-6-
InChIKeyHTLIRRIPBFWUQS-UUASQNMZSA-N
XLogP1.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 51.45
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

2-(1-azepanyl)-N'-(2-chloro-6-fluorobenzylidene)-2-oxoacetohydrazide
CID 6871267
N-cyclopropyl-2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600047
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339213
N-cyclopropyl-2-[(2E)-2-(2,4-dichlorobenzylidene)hydrazino]-2-oxoacetamide
CID 9600045
L-Proline, 5-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589039
N'-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-N-(methylethyl)propane-1,3-di amide
CID 9594312
(E)-N'-(2-chloro-6-fluorobenzylidene)-2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)acetohydrazide
CID 6862662
2-[2-(2-chloro-6-fluorobenzylidene)hydrazino]-N-cyclohexyl-2-oxoacetamide
CID 6871241
N'-[(E)-(2-Chloro-6-fluorophenyl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino]propanohydrazide
CID 9582606
2-(azepan-1-yl)-N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide
CID 1714272
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
N-allyl-2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoacetamide
CID 5333293

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide (CID 6150522) is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is HTLIRRIPBFWUQS-UUASQNMZSA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c1-7(2)16-11(18)12(19)17-15-6-8-9(13)4-3-5-10(8)14/h3-7H,1-2H3,(H,16,18)(H,17,19)/b15-6-.
What are the key properties of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 285.71 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 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-propan-2-yloxamide is sourced from PubChem (CID 6150522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).