2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide

C12H10ClN5O — CID 169338231

IUPAC2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NN=C(C#N)C#N)ccc1Cl
InChIInChI=1S/C12H10ClN5O/c1-18(2)12(19)10-5-8(3-4-11(10)13)16-17-9(6-14)7-15/h3-5,16H,1-2H3
InChIKeyNWYCIUXFRONAKZ-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.86
Rot. Bonds3

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

2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide (PubChem CID 169338231) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
PubChem CID169338231
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NN=C(C#N)C#N)ccc1Cl
InChIInChI=1S/C12H10ClN5O/c1-18(2)12(19)10-5-8(3-4-11(10)13)16-17-9(6-14)7-15/h3-5,16H,1-2H3
InChIKeyNWYCIUXFRONAKZ-UHFFFAOYSA-N
XLogP1.86
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.86
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 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide (CID 169338231) is 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NN=C(C#N)C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide?
The InChIKey is NWYCIUXFRONAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-18(2)12(19)10-5-8(3-4-11(10)13)16-17-9(6-14)7-15/h3-5,16H,1-2H3.
What are the key properties of 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide?
2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide has a molecular weight of 275.70 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 169338231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).