4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide

C22H17N5O — CID 169340310

IUPAC4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NN=C(C#N)C#N)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H17N5O/c1-2-27(21-9-5-7-16-6-3-4-8-20(16)21)22(28)17-10-12-18(13-11-17)25-26-19(14-23)15-24/h3-13,25H,2H2,1H3
InChIKeyUBYOEZCVFQDWDZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.32
Rot. Bonds5

About 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide

4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 169340310) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID169340310
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NN=C(C#N)C#N)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H17N5O/c1-2-27(21-9-5-7-16-6-3-4-8-20(16)21)22(28)17-10-12-18(13-11-17)25-26-19(14-23)15-24/h3-13,25H,2H2,1H3
InChIKeyUBYOEZCVFQDWDZ-UHFFFAOYSA-N
XLogP4.32
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide (CID 169340310) is 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(NN=C(C#N)C#N)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is UBYOEZCVFQDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-2-27(21-9-5-7-16-6-3-4-8-20(16)21)22(28)17-10-12-18(13-11-17)25-26-19(14-23)15-24/h3-13,25H,2H2,1H3.
What are the key properties of 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide?
4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 367.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 169340310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).