N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide

C10H8F3N3O2 — CID 6902969

IUPACN'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-1-2-6(4-7)5-15-16-9(18)8(14)17/h1-5H,(H2,14,17)(H,16,18)/b15-5+
InChIKeyVWDWHSBANWPALM-PJQLUOCWSA-N
MW259.19 g/mol
LogP0.64
Rot. Bonds2

About N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide

N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 6902969) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID6902969
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC NameN'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-1-2-6(4-7)5-15-16-9(18)8(14)17/h1-5H,(H2,14,17)(H,16,18)/b15-5+
InChIKeyVWDWHSBANWPALM-PJQLUOCWSA-N
XLogP0.64
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.64
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

Ethanedioic acid, 1,2-bis[2-(phenylmethylene)hydrazide]
CID 6861531
N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]acetamide
CID 9664736
[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 6903365
Ethanedioic acid, bis((phenylmethylene)hydrazide)
CID 96146
N'-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxamide
CID 9665959
2-piperidin-1-yl-N'-{(1E)-[3-(trifluoromethyl)phenyl]methylene}acetohydrazide
CID 56642871
1-hydroxy-3-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 11791501
({[3-(Trifluoromethyl)phenyl]methylidene}amino)urea
CID 2381518
N-[(E)-benzylideneamino]acetamide
CID 6871296
N'-(4-methylbenzylidene)acetohydrazide
CID 9569621
N'-Benzylidene-2,2,3,3,4,4,4-heptafluorobutanehydrazide
CID 138396362
Nsc409351
CID 5385733

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 6902969) is N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is VWDWHSBANWPALM-PJQLUOCWSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)7-3-1-2-6(4-7)5-15-16-9(18)8(14)17/h1-5H,(H2,14,17)(H,16,18)/b15-5+.
What are the key properties of N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 259.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 6902969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).