5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide

C11H8ClN5O — CID 169338329

IUPAC5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NN=C(C#N)C#N
InChIInChI=1S/C11H8ClN5O/c1-15-11(18)9-4-7(12)2-3-10(9)17-16-8(5-13)6-14/h2-4,17H,1H3,(H,15,18)
InChIKeyVKVWYGGIOVEPAF-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.51
Rot. Bonds3

About 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide

5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide (PubChem CID 169338329) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
PubChem CID169338329
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NN=C(C#N)C#N
InChIInChI=1S/C11H8ClN5O/c1-15-11(18)9-4-7(12)2-3-10(9)17-16-8(5-13)6-14/h2-4,17H,1H3,(H,15,18)
InChIKeyVKVWYGGIOVEPAF-UHFFFAOYSA-N
XLogP1.51
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.51
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

methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688
5-chloro-2-(2,2-dicyanoethenylamino)-N-methylbenzamide
CID 168542038
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
5-bromo-2-[2-(dicyanomethylidene)hydrazinyl]benzoic acid
CID 169341935
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
5-chloro-N-methyl-2-sulfanylbenzamide
CID 123328239
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide?
The IUPAC name of 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide (CID 169338329) is 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide?
The canonical SMILES for 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide is CNC(=O)c1cc(Cl)ccc1NN=C(C#N)C#N.
What is the InChIKey of 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide?
The InChIKey is VKVWYGGIOVEPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c1-15-11(18)9-4-7(12)2-3-10(9)17-16-8(5-13)6-14/h2-4,17H,1H3,(H,15,18).
What are the key properties of 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide?
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide has a molecular weight of 261.67 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide is sourced from PubChem (CID 169338329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).