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

C21H15Br2Cl2NO — CID 126220024

IUPACN-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C21H15Br2Cl2NO/c1-13-5-6-17(25)10-20(13)26-11-15-8-18(22)21(19(23)9-15)27-12-14-3-2-4-16(24)7-14/h2-11H,12H2,1H3/b26-11+
InChIKeyVSQDNTCFOUGMEG-KBKYJPHKSA-N
MW528.07 g/mol
LogP8.16
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine (PubChem CID 126220024) has the molecular formula C21H15Br2Cl2NO and a molecular weight of 528.07 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
PubChem CID126220024
Molecular FormulaC21H15Br2Cl2NO
Molecular Weight528.07 g/mol
Exact Mass524.89
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C21H15Br2Cl2NO/c1-13-5-6-17(25)10-20(13)26-11-15-8-18(22)21(19(23)9-15)27-12-14-3-2-4-16(24)7-14/h2-11H,12H2,1H3/b26-11+
InChIKeyVSQDNTCFOUGMEG-KBKYJPHKSA-N
XLogP8.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.07
LogP ≤ 58.16
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-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126206843
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
4-[[2-bromo-4-[(5-chloro-2-methylphenyl)iminomethyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126218954
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
(NE)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 6898200
1-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126221367

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine (CID 126220024) is N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine is Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine?
The InChIKey is VSQDNTCFOUGMEG-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H15Br2Cl2NO/c1-13-5-6-17(25)10-20(13)26-11-15-8-18(22)21(19(23)9-15)27-12-14-3-2-4-16(24)7-14/h2-11H,12H2,1H3/b26-11+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine?
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine has a molecular weight of 528.07 g/mol, XLogP of 8.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126220024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).