N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine

C15H11ClF3NO — CID 2799913

IUPACN-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
SMILESCC(=NOCc1c(F)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11ClF3NO/c1-9(10-5-6-14(18)15(19)7-10)20-21-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3
InChIKeyPITXPJFZAMTDDR-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.70
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine

N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine (PubChem CID 2799913) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
PubChem CID2799913
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
SMILESCC(=NOCc1c(F)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11ClF3NO/c1-9(10-5-6-14(18)15(19)7-10)20-21-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3
InChIKeyPITXPJFZAMTDDR-UHFFFAOYSA-N
XLogP4.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)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 N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine (CID 2799913) is N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine is CC(=NOCc1c(F)cccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
The InChIKey is PITXPJFZAMTDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c1-9(10-5-6-14(18)15(19)7-10)20-21-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine has a molecular weight of 313.71 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine is sourced from PubChem (CID 2799913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).