4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide

C17H12N6O2 — CID 169341949

IUPAC4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide
SMILESN#CC(C#N)=NNc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H12N6O2/c18-9-15(10-19)23-22-14-7-3-12(4-8-14)17(25)21-13-5-1-11(2-6-13)16(20)24/h1-8,22H,(H2,20,24)(H,21,25)
InChIKeyJNENOAWLJJHEOX-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.85
Rot. Bonds5

About 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide

4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide (PubChem CID 169341949) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide
PubChem CID169341949
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide
SMILESN#CC(C#N)=NNc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H12N6O2/c18-9-15(10-19)23-22-14-7-3-12(4-8-14)17(25)21-13-5-1-11(2-6-13)16(20)24/h1-8,22H,(H2,20,24)(H,21,25)
InChIKeyJNENOAWLJJHEOX-UHFFFAOYSA-N
XLogP1.85
TPSA144.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.85
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

1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-[(4-azidobenzoyl)amino]benzamide
CID 169326653
3-[2-(dicyanomethylidene)hydrazinyl]-N-(3,4-dimethylphenyl)benzamide
CID 169338246
4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
CID 169338311
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
CID 169340076
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide?
The IUPAC name of 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide (CID 169341949) is 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide?
The canonical SMILES for 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide is N#CC(C#N)=NNc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide?
The InChIKey is JNENOAWLJJHEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c18-9-15(10-19)23-22-14-7-3-12(4-8-14)17(25)21-13-5-1-11(2-6-13)16(20)24/h1-8,22H,(H2,20,24)(H,21,25).
What are the key properties of 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide?
4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide has a molecular weight of 332.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide is sourced from PubChem (CID 169341949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).