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

C21H14BrClF3NO — CID 88957319

IUPAC(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H14BrClF3NO/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+
InChIKeyFIXCASVJRMVMKY-NHFJDJAPSA-N
MW468.70 g/mol
LogP7.09
Rot. Bonds5

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

(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine (PubChem CID 88957319) has the molecular formula C21H14BrClF3NO and a molecular weight of 468.70 g/mol. Its IUPAC name is (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
PubChem CID88957319
Molecular FormulaC21H14BrClF3NO
Molecular Weight468.70 g/mol
Exact Mass466.99
IUPAC Name(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H14BrClF3NO/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+
InChIKeyFIXCASVJRMVMKY-NHFJDJAPSA-N
XLogP7.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.70
LogP ≤ 57.09
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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Related Compounds

(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 88957318
N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 123957835
(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
CID 88957365
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclopentyloxy-1-phenylmethanimine
CID 88957442
CID 172952844
CID 172952844
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxy-1-phenylmethanimine
CID 123590469
(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
CID 88957278
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
CID 59021225
CID 172942148
CID 172942148
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
CID 88957471
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 88957299

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The IUPAC name of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine (CID 88957319) is (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine is FC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The InChIKey is FIXCASVJRMVMKY-NHFJDJAPSA-N. The full InChI is InChI=1S/C21H14BrClF3NO/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-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine has a molecular weight of 468.70 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 88957319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).