1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine

C20H13Cl2F2NO — CID 4544045

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(F)c1
InChIInChI=1S/C20H13Cl2F2NO/c21-15-4-3-14(18(22)9-15)12-26-17-6-1-13(2-7-17)11-25-20-8-5-16(23)10-19(20)24/h1-11H,12H2/b25-11+
InChIKeyUDYRXVHGZJRWMH-OPEKNORGSA-N
MW392.23 g/mol
LogP6.60
Rot. Bonds5

About 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine

1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine (PubChem CID 4544045) has the molecular formula C20H13Cl2F2NO and a molecular weight of 392.23 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine
PubChem CID4544045
Molecular FormulaC20H13Cl2F2NO
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(F)c1
InChIInChI=1S/C20H13Cl2F2NO/c21-15-4-3-14(18(22)9-15)12-26-17-6-1-13(2-7-17)11-25-20-8-5-16(23)10-19(20)24/h1-11H,12H2/b25-11+
InChIKeyUDYRXVHGZJRWMH-OPEKNORGSA-N
XLogP6.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.23
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine (CID 4544045) is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine is Fc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(F)c1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine?
The InChIKey is UDYRXVHGZJRWMH-OPEKNORGSA-N. The full InChI is InChI=1S/C20H13Cl2F2NO/c21-15-4-3-14(18(22)9-15)12-26-17-6-1-13(2-7-17)11-25-20-8-5-16(23)10-19(20)24/h1-11H,12H2/b25-11+.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine?
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine has a molecular weight of 392.23 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-difluorophenyl)methanimine is sourced from PubChem (CID 4544045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).