1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

C26H17Br2Cl2NO2 — CID 126215516

IUPAC1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C26H17Br2Cl2NO2/c27-19-12-18(26(24(28)13-19)32-16-17-6-7-20(29)14-25(17)30)15-31-21-8-10-23(11-9-21)33-22-4-2-1-3-5-22/h1-15H,16H2/b31-15+
InChIKeyFLUNINBGUJSPOE-IBBHUPRXSA-N
MW606.14 g/mol
LogP9.64
Rot. Bonds7

About 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126215516) has the molecular formula C26H17Br2Cl2NO2 and a molecular weight of 606.14 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126215516
Molecular FormulaC26H17Br2Cl2NO2
Molecular Weight606.14 g/mol
Exact Mass602.90
IUPAC Name1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESClc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C26H17Br2Cl2NO2/c27-19-12-18(26(24(28)13-19)32-16-17-6-7-20(29)14-25(17)30)15-31-21-8-10-23(11-9-21)33-22-4-2-1-3-5-22/h1-15H,16H2/b31-15+
InChIKeyFLUNINBGUJSPOE-IBBHUPRXSA-N
XLogP9.64
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.14
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216177
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
(5E)-5-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5286343
1-[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-nitrophenyl)methanimine
CID 126052498
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (CID 126215516) is 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is Clc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is FLUNINBGUJSPOE-IBBHUPRXSA-N. The full InChI is InChI=1S/C26H17Br2Cl2NO2/c27-19-12-18(26(24(28)13-19)32-16-17-6-7-20(29)14-25(17)30)15-31-21-8-10-23(11-9-21)33-22-4-2-1-3-5-22/h1-15H,16H2/b31-15+.
What are the key properties of 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 606.14 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126215516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).