2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine

C22H20Cl6N2O4 — CID 152753016

IUPAC2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine
SMILESClC(Cl)=CCON=CCc1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1
InChIInChI=1S/C22H20Cl6N2O4/c23-17-12-16(31-10-5-19(25)26)13-18(24)22(17)33-9-1-8-32-21-3-2-15(14-29-21)4-7-30-34-11-6-20(27)28/h2-3,5-7,12-14H,1,4,8-11H2
InChIKeyFMKLWHLYMHXCQW-UHFFFAOYSA-N
MW589.13 g/mol
LogP7.80
Rot. Bonds14

About 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine

2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine (PubChem CID 152753016) has the molecular formula C22H20Cl6N2O4 and a molecular weight of 589.13 g/mol. Its IUPAC name is 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine.

Molecular Properties

Compound Name2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine
PubChem CID152753016
Molecular FormulaC22H20Cl6N2O4
Molecular Weight589.13 g/mol
Exact Mass585.96
IUPAC Name2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine
SMILESClC(Cl)=CCON=CCc1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1
InChIInChI=1S/C22H20Cl6N2O4/c23-17-12-16(31-10-5-19(25)26)13-18(24)22(17)33-9-1-8-32-21-3-2-15(14-29-21)4-7-30-34-11-6-20(27)28/h2-3,5-7,12-14H,1,4,8-11H2
InChIKeyFMKLWHLYMHXCQW-UHFFFAOYSA-N
XLogP7.80
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.13
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine 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-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine?
The IUPAC name of 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine (CID 152753016) is 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine.
What is the SMILES notation for 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine?
The canonical SMILES for 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine is ClC(Cl)=CCON=CCc1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1.
What is the InChIKey of 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine?
The InChIKey is FMKLWHLYMHXCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl6N2O4/c23-17-12-16(31-10-5-19(25)26)13-18(24)22(17)33-9-1-8-32-21-3-2-15(14-29-21)4-7-30-34-11-6-20(27)28/h2-3,5-7,12-14H,1,4,8-11H2.
What are the key properties of 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine?
2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine has a molecular weight of 589.13 g/mol, XLogP of 7.80, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-3-pyridinyl]-N-(3,3-dichloroprop-2-enoxy)ethanimine is sourced from PubChem (CID 152753016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).