N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine

C13H7BrCl2N2O2 — CID 633064

IUPACN-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2O2/c14-11-6-10(18(19)20)3-4-13(11)17-7-8-1-2-9(15)5-12(8)16/h1-7H/b17-7+
InChIKeyBZGLIVDTVZDRRD-REZTVBANSA-N
MW374.02 g/mol
LogP5.41
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine

N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine (PubChem CID 633064) has the molecular formula C13H7BrCl2N2O2 and a molecular weight of 374.02 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
PubChem CID633064
Molecular FormulaC13H7BrCl2N2O2
Molecular Weight374.02 g/mol
Exact Mass371.91
IUPAC NameN-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2O2/c14-11-6-10(18(19)20)3-4-13(11)17-7-8-1-2-9(15)5-12(8)16/h1-7H/b17-7+
InChIKeyBZGLIVDTVZDRRD-REZTVBANSA-N
XLogP5.41
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.02
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
[(Z)-(2,4-dichlorophenyl)methylideneamino] 4-nitrobenzoate
CID 6025983
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833575
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitroaniline
CID 6174360
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine (CID 633064) is N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine is O=[N+]([O-])c1ccc(/N=C/c2ccc(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is BZGLIVDTVZDRRD-REZTVBANSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O2/c14-11-6-10(18(19)20)3-4-13(11)17-7-8-1-2-9(15)5-12(8)16/h1-7H/b17-7+.
What are the key properties of N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine?
N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 374.02 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 633064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).