N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine

C14H9Cl3FNO — CID 2804487

IUPACN-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
SMILESFc1cccc(Cl)c1CON=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-10-5-4-9(13(17)6-10)7-19-20-8-11-12(16)2-1-3-14(11)18/h1-7H,8H2
InChIKeyZGAJLBPYGGHNCX-UHFFFAOYSA-N
MW332.59 g/mol
LogP5.34
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine

N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine (PubChem CID 2804487) has the molecular formula C14H9Cl3FNO and a molecular weight of 332.59 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
PubChem CID2804487
Molecular FormulaC14H9Cl3FNO
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC NameN-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
SMILESFc1cccc(Cl)c1CON=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-10-5-4-9(13(17)6-10)7-19-20-8-11-12(16)2-1-3-14(11)18/h1-7H,8H2
InChIKeyZGAJLBPYGGHNCX-UHFFFAOYSA-N
XLogP5.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.59
LogP ≤ 55.34
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine (CID 2804487) is N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine is Fc1cccc(Cl)c1CON=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is ZGAJLBPYGGHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO/c15-10-5-4-9(13(17)6-10)7-19-20-8-11-12(16)2-1-3-14(11)18/h1-7H,8H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine?
N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 332.59 g/mol, XLogP of 5.34, 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-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 2804487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).