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

C18H16BrClF3NO — CID 88957365

IUPAC(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
SMILESCCC/C(=N\OCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C18H16BrClF3NO/c1-2-3-17(24-25-11-12-4-6-13(19)7-5-12)15-10-14(20)8-9-16(15)18(21,22)23/h4-10H,2-3,11H2,1H3/b24-17+
InChIKeyKXYRBPVYDIMDRQ-JJIBRWJFSA-N
MW434.68 g/mol
LogP6.84
Rot. Bonds6

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

(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine (PubChem CID 88957365) has the molecular formula C18H16BrClF3NO and a molecular weight of 434.68 g/mol. Its IUPAC name is (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine.

Molecular Properties

Compound Name(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
PubChem CID88957365
Molecular FormulaC18H16BrClF3NO
Molecular Weight434.68 g/mol
Exact Mass433.01
IUPAC Name(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
SMILESCCC/C(=N\OCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C18H16BrClF3NO/c1-2-3-17(24-25-11-12-4-6-13(19)7-5-12)15-10-14(20)8-9-16(15)18(21,22)23/h4-10H,2-3,11H2,1H3/b24-17+
InChIKeyKXYRBPVYDIMDRQ-JJIBRWJFSA-N
XLogP6.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.68
LogP ≤ 56.84
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

N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 123957835
CID 172952274
CID 172952274
(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 88957319
(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
CID 88957446
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
CID 172952844
CID 172952844
N-[4-chloro-2-[C-propyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 90901797
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 88957318
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methoxyethoxy)propan-1-imine
CID 88957466
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
CID 59021225
CID 172942148
CID 172942148
CID 172986959
CID 172986959

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
The IUPAC name of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine (CID 88957365) is (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine.
What is the SMILES notation for (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
The canonical SMILES for (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine is CCC/C(=N\OCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
The InChIKey is KXYRBPVYDIMDRQ-JJIBRWJFSA-N. The full InChI is InChI=1S/C18H16BrClF3NO/c1-2-3-17(24-25-11-12-4-6-13(19)7-5-12)15-10-14(20)8-9-16(15)18(21,22)23/h4-10H,2-3,11H2,1H3/b24-17+.
What are the key properties of (E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine?
(E)-N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine has a molecular weight of 434.68 g/mol, XLogP of 6.84, 6 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]butan-1-imine is sourced from PubChem (CID 88957365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).