(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine

C19H15Cl3N2O — CID 134116366

IUPAC(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(Cl)cccc1Cl)c1ccc(Cl)c(-n2cccc2)c1
InChIInChI=1S/C19H15Cl3N2O/c1-13(23-25-12-15-16(20)5-4-6-17(15)21)14-7-8-18(22)19(11-14)24-9-2-3-10-24/h2-11H,12H2,1H3/b23-13+
InChIKeyRFXJGSFZVCJBFS-YDZHTSKRSA-N
MW393.70 g/mol
LogP6.38
Rot. Bonds5

About (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine

(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine (PubChem CID 134116366) has the molecular formula C19H15Cl3N2O and a molecular weight of 393.70 g/mol. Its IUPAC name is (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine
PubChem CID134116366
Molecular FormulaC19H15Cl3N2O
Molecular Weight393.70 g/mol
Exact Mass392.02
IUPAC Name(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(Cl)cccc1Cl)c1ccc(Cl)c(-n2cccc2)c1
InChIInChI=1S/C19H15Cl3N2O/c1-13(23-25-12-15-16(20)5-4-6-17(15)21)14-7-8-18(22)19(11-14)24-9-2-3-10-24/h2-11H,12H2,1H3/b23-13+
InChIKeyRFXJGSFZVCJBFS-YDZHTSKRSA-N
XLogP6.38
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine (CID 134116366) is (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine is C/C(=N\OCc1c(Cl)cccc1Cl)c1ccc(Cl)c(-n2cccc2)c1.
What is the InChIKey of (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
The InChIKey is RFXJGSFZVCJBFS-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H15Cl3N2O/c1-13(23-25-12-15-16(20)5-4-6-17(15)21)14-7-8-18(22)19(11-14)24-9-2-3-10-24/h2-11H,12H2,1H3/b23-13+.
What are the key properties of (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine?
(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine has a molecular weight of 393.70 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine is sourced from PubChem (CID 134116366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).