(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone

C13H15Cl2NO3 — CID 71979962

IUPAC(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
SMILESCOCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H15Cl2NO3/c1-18-4-5-19-10-7-16(8-10)13(17)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyMUOHLYMHPLXSBD-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.48
Rot. Bonds5

About (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone

(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone (PubChem CID 71979962) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
PubChem CID71979962
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
SMILESCOCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H15Cl2NO3/c1-18-4-5-19-10-7-16(8-10)13(17)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyMUOHLYMHPLXSBD-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone 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 (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone (CID 71979962) is (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone is COCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
The InChIKey is MUOHLYMHPLXSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-18-4-5-19-10-7-16(8-10)13(17)11-6-9(14)2-3-12(11)15/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone?
(2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone has a molecular weight of 304.17 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[3-(2-methoxyethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 71979962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).