(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine

C21H14Cl2F3NO — CID 88957318

IUPAC(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H14Cl2F3NO/c22-16-8-6-14(7-9-16)13-28-27-20(15-4-2-1-3-5-15)18-12-17(23)10-11-19(18)21(24,25)26/h1-12H,13H2/b27-20+
InChIKeyOULPJKLXLPGFFE-NHFJDJAPSA-N
MW424.25 g/mol
LogP6.98
Rot. Bonds5

About (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine

(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine (PubChem CID 88957318) has the molecular formula C21H14Cl2F3NO and a molecular weight of 424.25 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
PubChem CID88957318
Molecular FormulaC21H14Cl2F3NO
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC Name(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H14Cl2F3NO/c22-16-8-6-14(7-9-16)13-28-27-20(15-4-2-1-3-5-15)18-12-17(23)10-11-19(18)21(24,25)26/h1-12H,13H2/b27-20+
InChIKeyOULPJKLXLPGFFE-NHFJDJAPSA-N
XLogP6.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.25
LogP ≤ 56.98
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 (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine (CID 88957318) is (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine is FC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The InChIKey is OULPJKLXLPGFFE-NHFJDJAPSA-N. The full InChI is InChI=1S/C21H14Cl2F3NO/c22-16-8-6-14(7-9-16)13-28-27-20(15-4-2-1-3-5-15)18-12-17(23)10-11-19(18)21(24,25)26/h1-12H,13H2/b27-20+.
What are the key properties of (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine has a molecular weight of 424.25 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 88957318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).