(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine

C17H21Cl4NO3 — CID 18430037

IUPAC(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine
SMILESCCCO/N=C/CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C17H21Cl4NO3/c1-2-8-25-22-7-4-3-5-9-24-17-14(18)11-13(12-15(17)19)23-10-6-16(20)21/h6-7,11-12H,2-5,8-10H2,1H3/b22-7+
InChIKeyJUOQYXMQFRRVJM-QPJQQBGISA-N
MW429.17 g/mol
LogP6.65
Rot. Bonds12

About (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine

(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine (PubChem CID 18430037) has the molecular formula C17H21Cl4NO3 and a molecular weight of 429.17 g/mol. Its IUPAC name is (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine.

Molecular Properties

Compound Name(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine
PubChem CID18430037
Molecular FormulaC17H21Cl4NO3
Molecular Weight429.17 g/mol
Exact Mass427.03
IUPAC Name(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine
SMILESCCCO/N=C/CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C17H21Cl4NO3/c1-2-8-25-22-7-4-3-5-9-24-17-14(18)11-13(12-15(17)19)23-10-6-16(20)21/h6-7,11-12H,2-5,8-10H2,1H3/b22-7+
InChIKeyJUOQYXMQFRRVJM-QPJQQBGISA-N
XLogP6.65
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.17
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine 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

(E)-2-[4-(2-chlorophenoxy)phenoxy]-N-ethoxyethanimine
CID 76319767
(E)-2-[4-(3-chlorophenoxy)phenoxy]-N-ethoxyethanimine
CID 76319770
1,3-dichloro-2-[5-[(Z)-3-chloro-4,4,4-trifluorobut-2-enoxy]pentan-2-yloxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 17881447
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-1-imine
CID 18429848
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine
CID 18430010
(E)-2-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]-N-(2,2,2-trifluoroethoxy)ethanimine
CID 18430246
N-[4-[4-[2-(bromomethyl-lambda3-chloranylidene)ethoxy]-2-chloro-6-fluorophenoxy]butoxy]propan-2-imine
CID 22963310
N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)-3-fluorophenoxy]ethoxy]propan-2-imine
CID 22963337
N-[2-[2,6-dichloro-4-(3,3-difluoroprop-2-enoxy)phenoxy]ethoxy]propan-2-imine
CID 22963340
N-[2-[2,6-dichloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]phenoxy]ethoxy]propan-2-imine
CID 22963341
N-[2-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]ethoxy]propan-2-imine
CID 22963366
N-[2-[4-[(E)-3-bromo-3-fluoroprop-2-enoxy]-2,6-dichlorophenoxy]ethoxy]propan-2-imine
CID 22963456

Frequently Asked Questions

What is the IUPAC name of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine?
The IUPAC name of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine (CID 18430037) is (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine.
What is the SMILES notation for (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine?
The canonical SMILES for (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine is CCCO/N=C/CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.
What is the InChIKey of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine?
The InChIKey is JUOQYXMQFRRVJM-QPJQQBGISA-N. The full InChI is InChI=1S/C17H21Cl4NO3/c1-2-8-25-22-7-4-3-5-9-24-17-14(18)11-13(12-15(17)19)23-10-6-16(20)21/h6-7,11-12H,2-5,8-10H2,1H3/b22-7+.
What are the key properties of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine?
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine has a molecular weight of 429.17 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine is sourced from PubChem (CID 18430037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).