2-(2,6-dichlorophenyl)ethanimidamide chloride

C8H8Cl3N2- — CID 45108783

IUPAC2-(2,6-dichlorophenyl)ethanimidamide chloride
SMILES[Cl-].[H]/N=C(\N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H/p-1
InChIKeyYNPZJFKKDYCULJ-UHFFFAOYSA-M
MW238.53 g/mol
LogP-0.52
Rot. Bonds2

About 2-(2,6-dichlorophenyl)ethanimidamide chloride

2-(2,6-dichlorophenyl)ethanimidamide chloride (PubChem CID 45108783) has the molecular formula C8H8Cl3N2- and a molecular weight of 238.53 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)ethanimidamide chloride.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)ethanimidamide chloride
PubChem CID45108783
Molecular FormulaC8H8Cl3N2-
Molecular Weight238.53 g/mol
Exact Mass236.98
IUPAC Name2-(2,6-dichlorophenyl)ethanimidamide chloride
SMILES[Cl-].[H]/N=C(\N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H/p-1
InChIKeyYNPZJFKKDYCULJ-UHFFFAOYSA-M
XLogP-0.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.53
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,6-dichlorophenyl)ethanimidamide chloride 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-(2-bromo-3-chlorophenyl)ethanimidamide
CID 141257602
2-(3-chloro-2-methoxyphenyl)ethanimidamide
CID 83676619
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
CID 63179561
N'-amino-2-(2,6-dichlorophenyl)ethanimidamide
CID 76923044
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
2-phenylethanimidamide
CID 27787
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
2-pyridin-4-ylethanimidamide
CID 5078674
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
3-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996527
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)ethanimidamide chloride?
The IUPAC name of 2-(2,6-dichlorophenyl)ethanimidamide chloride (CID 45108783) is 2-(2,6-dichlorophenyl)ethanimidamide chloride.
What is the SMILES notation for 2-(2,6-dichlorophenyl)ethanimidamide chloride?
The canonical SMILES for 2-(2,6-dichlorophenyl)ethanimidamide chloride is [Cl-].[H]/N=C(\N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)ethanimidamide chloride?
The InChIKey is YNPZJFKKDYCULJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H/p-1.
What are the key properties of 2-(2,6-dichlorophenyl)ethanimidamide chloride?
2-(2,6-dichlorophenyl)ethanimidamide chloride has a molecular weight of 238.53 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)ethanimidamide chloride is sourced from PubChem (CID 45108783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).