N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine

C15H12Br2ClNO — CID 126207516

IUPACN-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
SMILESCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H12Br2ClNO/c1-9-3-4-12(7-14(9)18)19-8-10-5-11(16)6-13(17)15(10)20-2/h3-8H,1-2H3/b19-8+
InChIKeyLDSRGGLDKGSJKT-UFWORHAWSA-N
MW417.53 g/mol
LogP5.93
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine

N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine (PubChem CID 126207516) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
PubChem CID126207516
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
SMILESCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H12Br2ClNO/c1-9-3-4-12(7-14(9)18)19-8-10-5-11(16)6-13(17)15(10)20-2/h3-8H,1-2H3/b19-8+
InChIKeyLDSRGGLDKGSJKT-UFWORHAWSA-N
XLogP5.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
1-[4-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 5186013
N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
CID 126216572
1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine
CID 50883934
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126219743
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
[2,4-dibromo-6-[(4-methoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126223634

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine (CID 126207516) is N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine is COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine?
The InChIKey is LDSRGGLDKGSJKT-UFWORHAWSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c1-9-3-4-12(7-14(9)18)19-8-10-5-11(16)6-13(17)15(10)20-2/h3-8H,1-2H3/b19-8+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine has a molecular weight of 417.53 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine is sourced from PubChem (CID 126207516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).