N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C13H13ClFN3O2 — CID 6051644

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C\c1c(F)cccc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H13ClFN3O2/c14-10-4-3-5-11(15)9(10)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)/b16-8-
InChIKeyJMJVBVCDGNTWON-PXNMLYILSA-N
MW297.72 g/mol
LogP1.55
Rot. Bonds2

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 6051644) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID6051644
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C\c1c(F)cccc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C13H13ClFN3O2/c14-10-4-3-5-11(15)9(10)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)/b16-8-
InChIKeyJMJVBVCDGNTWON-PXNMLYILSA-N
XLogP1.55
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.55
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
1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339213
2-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-oxo-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 9597875
1-Pyrrolidineacetic acid, ((4-chlorophenyl)methylene)hydrazide, monohydrochloride, hydrate
CID 9578628
L-Proline, 5-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589039
2-[2-(2-chloro-6-fluorobenzylidene)hydrazino]-N-cyclohexyl-2-oxoacetamide
CID 6871241
N'-(4-fluorobenzylidene)-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 5333323
2-(azepan-1-yl)-N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxoacetamide
CID 1714272
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
CID 3622128

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 6051644) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(N/N=C\c1c(F)cccc1Cl)C(=O)N1CCCC1.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is JMJVBVCDGNTWON-PXNMLYILSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c14-10-4-3-5-11(15)9(10)8-16-17-12(19)13(20)18-6-1-2-7-18/h3-5,8H,1-2,6-7H2,(H,17,19)/b16-8-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 297.72 g/mol, XLogP of 1.55, 2 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]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 6051644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).