2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide

C17H11F3N6O — CID 169340655

IUPAC2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide
SMILESN#CC(C#N)=NNc1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1
InChIInChI=1S/C17H11F3N6O/c18-17(19,20)11-6-7-15(25-24-13(9-21)10-22)14(8-11)16(27)26-23-12-4-2-1-3-5-12/h1-8,23,25H,(H,26,27)
InChIKeyOEBYKACZJHHQKK-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.28
Rot. Bonds5

About 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide

2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide (PubChem CID 169340655) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide
PubChem CID169340655
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide
SMILESN#CC(C#N)=NNc1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1
InChIInChI=1S/C17H11F3N6O/c18-17(19,20)11-6-7-15(25-24-13(9-21)10-22)14(8-11)16(27)26-23-12-4-2-1-3-5-12/h1-8,23,25H,(H,26,27)
InChIKeyOEBYKACZJHHQKK-UHFFFAOYSA-N
XLogP3.28
TPSA113.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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

methyl 2-[2-(dicyanomethylidene)hydrazinyl]-4-(trifluoromethyl)benzoate
CID 169337670
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169368384
2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
CID 169338994
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
CID 169338329
2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339501
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341832
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 134849172
2-[[2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide?
The IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide (CID 169340655) is 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide is N#CC(C#N)=NNc1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1.
What is the InChIKey of 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide?
The InChIKey is OEBYKACZJHHQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c18-17(19,20)11-6-7-15(25-24-13(9-21)10-22)14(8-11)16(27)26-23-12-4-2-1-3-5-12/h1-8,23,25H,(H,26,27).
What are the key properties of 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide?
2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide has a molecular weight of 372.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyanomethylidene)hydrazinyl]-N'-phenyl-5-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 169340655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).