N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide

C13H8Cl3NO — CID 88775663

IUPACN-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
SMILES[O-][N+](=Cc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C13H8Cl3NO/c14-9-6-12(15)11(13(16)7-9)8-17(18)10-4-2-1-3-5-10/h1-8H
InChIKeyYHPKMONOVAOPPW-UHFFFAOYSA-N
MW300.57 g/mol
LogP4.91
Rot. Bonds2

About N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide

N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide (PubChem CID 88775663) has the molecular formula C13H8Cl3NO and a molecular weight of 300.57 g/mol. Its IUPAC name is N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide.

Molecular Properties

Compound NameN-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
PubChem CID88775663
Molecular FormulaC13H8Cl3NO
Molecular Weight300.57 g/mol
Exact Mass298.97
IUPAC NameN-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
SMILES[O-][N+](=Cc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C13H8Cl3NO/c14-9-6-12(15)11(13(16)7-9)8-17(18)10-4-2-1-3-5-10/h1-8H
InChIKeyYHPKMONOVAOPPW-UHFFFAOYSA-N
XLogP4.91
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.57
LogP ≤ 54.91
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-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide?
The IUPAC name of N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide (CID 88775663) is N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide.
What is the SMILES notation for N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide?
The canonical SMILES for N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide is [O-][N+](=Cc1c(Cl)cc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide?
The InChIKey is YHPKMONOVAOPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO/c14-9-6-12(15)11(13(16)7-9)8-17(18)10-4-2-1-3-5-10/h1-8H.
What are the key properties of N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide?
N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide has a molecular weight of 300.57 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide is sourced from PubChem (CID 88775663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).