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

C22H18Br2ClNO2 — CID 126220487

IUPAC1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H18Br2ClNO2/c1-2-27-19-9-7-18(8-10-19)26-13-16-11-17(23)12-20(24)22(16)28-14-15-5-3-4-6-21(15)25/h3-13H,2,14H2,1H3/b26-13+
InChIKeySDBPOXQRHKYJJV-LGJNPRDNSA-N
MW523.65 g/mol
LogP7.59
Rot. Bonds7

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

1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine (PubChem CID 126220487) has the molecular formula C22H18Br2ClNO2 and a molecular weight of 523.65 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
PubChem CID126220487
Molecular FormulaC22H18Br2ClNO2
Molecular Weight523.65 g/mol
Exact Mass520.94
IUPAC Name1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H18Br2ClNO2/c1-2-27-19-9-7-18(8-10-19)26-13-16-11-17(23)12-20(24)22(16)28-14-15-5-3-4-6-21(15)25/h3-13H,2,14H2,1H3/b26-13+
InChIKeySDBPOXQRHKYJJV-LGJNPRDNSA-N
XLogP7.59
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.65
LogP ≤ 57.59
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-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
4-[[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126206268
[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126223317
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220882
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
(5Z)-5-[[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137074500

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine (CID 126220487) is 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The InChIKey is SDBPOXQRHKYJJV-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H18Br2ClNO2/c1-2-27-19-9-7-18(8-10-19)26-13-16-11-17(23)12-20(24)22(16)28-14-15-5-3-4-6-21(15)25/h3-13H,2,14H2,1H3/b26-13+.
What are the key properties of 1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine has a molecular weight of 523.65 g/mol, XLogP of 7.59, 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-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126220487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).