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

C22H18Br2ClNO — CID 126205449

IUPAC1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Br2ClNO/c1-2-15-5-9-20(10-6-15)26-13-17-11-18(23)12-21(24)22(17)27-14-16-3-7-19(25)8-4-16/h3-13H,2,14H2,1H3/b26-13+
InChIKeyADJAXIWRUWWHCJ-LGJNPRDNSA-N
MW507.65 g/mol
LogP7.76
Rot. Bonds6

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

1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (PubChem CID 126205449) has the molecular formula C22H18Br2ClNO and a molecular weight of 507.65 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
PubChem CID126205449
Molecular FormulaC22H18Br2ClNO
Molecular Weight507.65 g/mol
Exact Mass504.94
IUPAC Name1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Br2ClNO/c1-2-15-5-9-20(10-6-15)26-13-17-11-18(23)12-21(24)22(17)27-14-16-3-7-19(25)8-4-16/h3-13H,2,14H2,1H3/b26-13+
InChIKeyADJAXIWRUWWHCJ-LGJNPRDNSA-N
XLogP7.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
4-[[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126206268
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-nitrophenyl)methanimine
CID 126052498
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126219743
4-[[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126222034
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (CID 126205449) is 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The InChIKey is ADJAXIWRUWWHCJ-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H18Br2ClNO/c1-2-15-5-9-20(10-6-15)26-13-17-11-18(23)12-21(24)22(17)27-14-16-3-7-19(25)8-4-16/h3-13H,2,14H2,1H3/b26-13+.
What are the key properties of 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine has a molecular weight of 507.65 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126205449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).