2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide

C9H10Cl2N2O — CID 12728425

IUPAC2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
SMILESCO/N=C(/N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-14-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyBYSARZNFRZDLFD-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.45
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide

2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide (PubChem CID 12728425) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
PubChem CID12728425
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
SMILESCO/N=C(/N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-14-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyBYSARZNFRZDLFD-UHFFFAOYSA-N
XLogP2.45
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide (CID 12728425) is 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide is CO/N=C(/N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide?
The InChIKey is BYSARZNFRZDLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-14-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide?
2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide has a molecular weight of 233.10 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide is sourced from PubChem (CID 12728425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).