N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H12F3N3O2 — CID 2318404

IUPACN-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccccc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)12-6-7-14(23)21(9-12)10-13(22)20-19-8-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22)
InChIKeyMASGFIUFWJSBKN-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.02
Rot. Bonds4

About N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2318404) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2318404
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccccc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)12-6-7-14(23)21(9-12)10-13(22)20-19-8-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22)
InChIKeyMASGFIUFWJSBKN-UHFFFAOYSA-N
XLogP2.02
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899834
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-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899830
N,N-diethyl-2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-2-oxoacetamide
CID 5333338
N-[(E)-benzylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899832
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899852
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899838
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899904
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-prop-2-enylacetamide
CID 3224525
2-[3-(2-fluorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 51043050

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2318404) is N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MASGFIUFWJSBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)12-6-7-14(23)21(9-12)10-13(22)20-19-8-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22).
What are the key properties of N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 323.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).