N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide

C12H14FN3O2 — CID 5333399

IUPACN'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C12H14FN3O2/c1-2-7-14-11(17)12(18)16-15-8-9-5-3-4-6-10(9)13/h3-6,8H,2,7H2,1H3,(H,14,17)(H,16,18)/b15-8+
InChIKeyLGQFRBBQENYDLW-OVCLIPMQSA-N
MW251.26 g/mol
LogP0.80
Rot. Bonds4

About N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide

N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide (PubChem CID 5333399) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide
PubChem CID5333399
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C12H14FN3O2/c1-2-7-14-11(17)12(18)16-15-8-9-5-3-4-6-10(9)13/h3-6,8H,2,7H2,1H3,(H,14,17)(H,16,18)/b15-8+
InChIKeyLGQFRBBQENYDLW-OVCLIPMQSA-N
XLogP0.80
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.80
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

N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6899264
N-[(E)-(4-fluorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 9612950
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
N-allyl-3-[2-(3-methylbenzylidene)hydrazino]-3-oxopropanamide
CID 9725894
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)-(2-fluorophenyl)methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide (CID 5333399) is N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C/c1ccccc1F.
What is the InChIKey of N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide?
The InChIKey is LGQFRBBQENYDLW-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-2-7-14-11(17)12(18)16-15-8-9-5-3-4-6-10(9)13/h3-6,8H,2,7H2,1H3,(H,14,17)(H,16,18)/b15-8+.
What are the key properties of N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide?
N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide has a molecular weight of 251.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide is sourced from PubChem (CID 5333399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).