2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide

C12H15Cl2N3O — CID 169367595

IUPAC2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C12H15Cl2N3O/c13-8-11(15)16-10-3-1-2-9(14)12(10)17-4-6-18-7-5-17/h1-3H,4-8H2,(H2,15,16)
InChIKeyNSJYGASEEQBWEB-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.40
Rot. Bonds3

About 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide

2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide (PubChem CID 169367595) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
PubChem CID169367595
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C12H15Cl2N3O/c13-8-11(15)16-10-3-1-2-9(14)12(10)17-4-6-18-7-5-17/h1-3H,4-8H2,(H2,15,16)
InChIKeyNSJYGASEEQBWEB-UHFFFAOYSA-N
XLogP2.40
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.40
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'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide 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-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide (CID 169367595) is 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide is N/C(CCl)=N/c1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide?
The InChIKey is NSJYGASEEQBWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-8-11(15)16-10-3-1-2-9(14)12(10)17-4-6-18-7-5-17/h1-3H,4-8H2,(H2,15,16).
What are the key properties of 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide?
2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide has a molecular weight of 288.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide is sourced from PubChem (CID 169367595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).