2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide

C11H9ClN4 — CID 169369151

IUPAC2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
SMILESCc1cc(C#N)cc(C#N)c1/N=C(/N)CCl
InChIInChI=1S/C11H9ClN4/c1-7-2-8(5-13)3-9(6-14)11(7)16-10(15)4-12/h2-3H,4H2,1H3,(H2,15,16)
InChIKeyNRSVNWISQXHIGS-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.97
Rot. Bonds2

About 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide

2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide (PubChem CID 169369151) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
PubChem CID169369151
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
SMILESCc1cc(C#N)cc(C#N)c1/N=C(/N)CCl
InChIInChI=1S/C11H9ClN4/c1-7-2-8(5-13)3-9(6-14)11(7)16-10(15)4-12/h2-3H,4H2,1H3,(H2,15,16)
InChIKeyNRSVNWISQXHIGS-UHFFFAOYSA-N
XLogP1.97
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-(2,6-dichloro-4-cyanophenyl)ethanimidamide
CID 169369477
2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide
CID 169369060
2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
CID 169366175
2-chloro-N'-(6-cyano-3-methoxy-2-methylphenyl)ethanimidamide
CID 169366267
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-chloro-N'-[2-cyano-6-iodo-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366449
2-chloro-N'-(4,5-dichloro-2-cyanophenyl)ethanimidamide
CID 169369229
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
2-chloro-N'-(2-cyano-4,5-diethoxyphenyl)ethanimidamide
CID 169369665
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide
CID 169365118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide (CID 169369151) is 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide is Cc1cc(C#N)cc(C#N)c1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide?
The InChIKey is NRSVNWISQXHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-7-2-8(5-13)3-9(6-14)11(7)16-10(15)4-12/h2-3H,4H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide?
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide has a molecular weight of 232.67 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide is sourced from PubChem (CID 169369151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).