N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide

C12H12FN3O2 — CID 5333293

IUPACN'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O2/c1-2-7-14-11(17)12(18)16-15-8-9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,17)(H,16,18)/b15-8+
InChIKeyFVJGVPOIHYXIEC-OVCLIPMQSA-N
MW249.24 g/mol
LogP0.58
Rot. Bonds4

About N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 5333293) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID5333293
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC NameN'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O2/c1-2-7-14-11(17)12(18)16-15-8-9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,17)(H,16,18)/b15-8+
InChIKeyFVJGVPOIHYXIEC-OVCLIPMQSA-N
XLogP0.58
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.58
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-allyl-3-[2-(2-fluorobenzylidene)hydrazino]-3-oxopropanamide
CID 5334645
3-[2-(4-fluorobenzylidene)hydrazino]-N-isopropyl-3-oxopropanamide
CID 5335192
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
2-(4-Fluoro-benzylidene-hydrazinocarbonyl)-N-isobutyl-acetamide
CID 9591591
N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
2-(2-Fluoro-benzylidene-hydrazinocarbonyl)-N-isopropyl-acetamide
CID 9591599
N',N'-diethyl-N-[(E)-(4-fluorophenyl)methylideneamino]oxamide
CID 5333338

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide (CID 5333293) is N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is FVJGVPOIHYXIEC-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-7-14-11(17)12(18)16-15-8-9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,17)(H,16,18)/b15-8+.
What are the key properties of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 249.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-fluorophenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 5333293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).