N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

C13H14FN3O2 — CID 5333323

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C/c1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H14FN3O2/c14-11-5-3-10(4-6-11)9-15-16-12(18)13(19)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,16,18)/b15-9+
InChIKeyFUSUNCJSMRFSAM-OQLLNIDSSA-N
MW263.27 g/mol
LogP0.90
Rot. Bonds2

About N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 5333323) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID5333323
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(N/N=C/c1ccc(F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H14FN3O2/c14-11-5-3-10(4-6-11)9-15-16-12(18)13(19)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,16,18)/b15-9+
InChIKeyFUSUNCJSMRFSAM-OQLLNIDSSA-N
XLogP0.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.90
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

N-[(E)-(4-fluorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 9612950
2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-N'-[(1E)-(4-fluorophenyl)methylene]acetohydrazide
CID 9626072
2-(1-azocanyl)-N'-(2,4-difluorobenzylidene)acetohydrazide
CID 5338387
N'-(3,4-difluorobenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 6894489
N'-(2,4-difluorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 6894556
N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
CID 5333338
N-[(E)-benzylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899832
2-(azepan-1-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-2-oxoacetohydrazide
CID 9593485
2-(1-azocanyl)-N'-(2-fluorobenzylidene)acetohydrazide
CID 5331821
N-(tert-butyl)-2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoacetamide
CID 5333344
2-(1-azocanyl)-N'-(3,4-difluorobenzylidene)acetohydrazide
CID 6894720
2-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)-N'-[(1E)-(2-fluorophenyl)methylene]acetohydrazide
CID 9626367

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 5333323) is N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(N/N=C/c1ccc(F)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is FUSUNCJSMRFSAM-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-11-5-3-10(4-6-11)9-15-16-12(18)13(19)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 263.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 5333323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).