2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide

C18H15N5O — CID 169339724

IUPAC2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C18H15N5O/c1-13-6-8-14(9-7-13)12-21-18(24)16-4-2-3-5-17(16)23-22-15(10-19)11-20/h2-9,23H,12H2,1H3,(H,21,24)
InChIKeyRSNMDKKPVYFKJQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide

2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 169339724) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID169339724
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C18H15N5O/c1-13-6-8-14(9-7-13)12-21-18(24)16-4-2-3-5-17(16)23-22-15(10-19)11-20/h2-9,23H,12H2,1H3,(H,21,24)
InChIKeyRSNMDKKPVYFKJQ-UHFFFAOYSA-N
XLogP2.74
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
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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Related Compounds

2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide (CID 169339724) is 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is RSNMDKKPVYFKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-13-6-8-14(9-7-13)12-21-18(24)16-4-2-3-5-17(16)23-22-15(10-19)11-20/h2-9,23H,12H2,1H3,(H,21,24).
What are the key properties of 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide?
2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyanomethylidene)hydrazinyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 169339724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).