1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine

C18H18ClFN2O2 — CID 54108547

IUPAC1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine
SMILESFc1ccc(C(Cc2cccnc2)=NOC2CCCCO2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c19-16-11-14(20)6-7-15(16)17(10-13-4-3-8-21-12-13)22-24-18-5-1-2-9-23-18/h3-4,6-8,11-12,18H,1-2,5,9-10H2
InChIKeyNFLKGPHMEIPLAF-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine

1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine (PubChem CID 54108547) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine
PubChem CID54108547
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine
SMILESFc1ccc(C(Cc2cccnc2)=NOC2CCCCO2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c19-16-11-14(20)6-7-15(16)17(10-13-4-3-8-21-12-13)22-24-18-5-1-2-9-23-18/h3-4,6-8,11-12,18H,1-2,5,9-10H2
InChIKeyNFLKGPHMEIPLAF-UHFFFAOYSA-N
XLogP4.36
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine 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 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine (CID 54108547) is 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine is Fc1ccc(C(Cc2cccnc2)=NOC2CCCCO2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine?
The InChIKey is NFLKGPHMEIPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-16-11-14(20)6-7-15(16)17(10-13-4-3-8-21-12-13)22-24-18-5-1-2-9-23-18/h3-4,6-8,11-12,18H,1-2,5,9-10H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine?
1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine has a molecular weight of 348.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(oxan-2-yloxy)-2-pyridin-3-ylethanimine is sourced from PubChem (CID 54108547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).