N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine

C15H12Br2ClNO — CID 581457

IUPACN-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
SMILESCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H12Br2ClNO/c1-2-20-15-10(7-11(16)8-14(15)17)9-19-13-5-3-12(18)4-6-13/h3-9H,2H2,1H3/b19-9+
InChIKeyFYXUMUMZHYFSQH-DJKKODMXSA-N
MW417.53 g/mol
LogP6.01
Rot. Bonds4

About N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine

N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine (PubChem CID 581457) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
PubChem CID581457
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC NameN-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
SMILESCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H12Br2ClNO/c1-2-20-15-10(7-11(16)8-14(15)17)9-19-13-5-3-12(18)4-6-13/h3-9H,2H2,1H3/b19-9+
InChIKeyFYXUMUMZHYFSQH-DJKKODMXSA-N
XLogP6.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 56.01
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-(4-ethylphenyl)methanimine
CID 126205449
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
CID 75574757
4-[[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126206268
1-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126215516
[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126223317
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407
[2,4-dibromo-6-(phenyliminomethyl)phenyl] 4-chlorobenzenesulfonate
CID 126218700
1-[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-nitrophenyl)methanimine
CID 126052498
N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
CID 126207516
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine (CID 581457) is N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine is CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine?
The InChIKey is FYXUMUMZHYFSQH-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c1-2-20-15-10(7-11(16)8-14(15)17)9-19-13-5-3-12(18)4-6-13/h3-9H,2H2,1H3/b19-9+.
What are the key properties of N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine?
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine has a molecular weight of 417.53 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine is sourced from PubChem (CID 581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).