N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide

C13H9BrClNO — CID 72947617

IUPACN-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9-
InChIKeyWTGZIMILBYEYAR-SXGWCWSVSA-N
MW310.58 g/mol
LogP4.36
Rot. Bonds2

About N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide

N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide (PubChem CID 72947617) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide
PubChem CID72947617
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC NameN-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9-
InChIKeyWTGZIMILBYEYAR-SXGWCWSVSA-N
XLogP4.36
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide?
The IUPAC name of N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide (CID 72947617) is N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide?
The canonical SMILES for N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide is [O-]/[N+](=C\c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide?
The InChIKey is WTGZIMILBYEYAR-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9-.
What are the key properties of N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide?
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide has a molecular weight of 310.58 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide is sourced from PubChem (CID 72947617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).