1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine

C21H15BrCl3NO — CID 126217471

IUPAC1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15BrCl3NO/c1-13-2-5-18(24)10-20(13)26-11-15-8-16(22)4-7-21(15)27-12-14-3-6-17(23)9-19(14)25/h2-11H,12H2,1H3/b26-11+
InChIKeyNEWAHEZPSHFRQG-KBKYJPHKSA-N
MW483.62 g/mol
LogP8.05
Rot. Bonds5

About 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine

1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine (PubChem CID 126217471) has the molecular formula C21H15BrCl3NO and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
PubChem CID126217471
Molecular FormulaC21H15BrCl3NO
Molecular Weight483.62 g/mol
Exact Mass480.94
IUPAC Name1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15BrCl3NO/c1-13-2-5-18(24)10-20(13)26-11-15-8-16(22)4-7-21(15)27-12-14-3-6-17(23)9-19(14)25/h2-11H,12H2,1H3/b26-11+
InChIKeyNEWAHEZPSHFRQG-KBKYJPHKSA-N
XLogP8.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 58.05
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-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126215654
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine (CID 126217471) is 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine is Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine?
The InChIKey is NEWAHEZPSHFRQG-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H15BrCl3NO/c1-13-2-5-18(24)10-20(13)26-11-15-8-16(22)4-7-21(15)27-12-14-3-6-17(23)9-19(14)25/h2-11H,12H2,1H3/b26-11+.
What are the key properties of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine?
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine has a molecular weight of 483.62 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine is sourced from PubChem (CID 126217471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).