N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide

C13H9Cl2NO — CID 88775538

IUPACN-(2,3-dichlorophenyl)-1-phenylmethanimine oxide
SMILES[O-][N+](=Cc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO/c14-11-7-4-8-12(13(11)15)16(17)9-10-5-2-1-3-6-10/h1-9H
InChIKeyCJAJUJFIKNLZBW-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.25
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide

N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide (PubChem CID 88775538) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-phenylmethanimine oxide
PubChem CID88775538
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC NameN-(2,3-dichlorophenyl)-1-phenylmethanimine oxide
SMILES[O-][N+](=Cc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO/c14-11-7-4-8-12(13(11)15)16(17)9-10-5-2-1-3-6-10/h1-9H
InChIKeyCJAJUJFIKNLZBW-UHFFFAOYSA-N
XLogP4.25
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.25
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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Related Compounds

1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide
CID 88774491
N-(3-chlorophenyl)-1-phenylmethanimine oxide
CID 12672716
N-(2-methylphenyl)-1-(3-methylphenyl)methanimine oxide
CID 88776510
N-(4-hydroxyphenyl)-1-phenylmethanimine oxide
CID 88774477
1-phenyl-N-[2-(5-phenyl-2H-triazol-1-ium-1-yl)phenyl]methanimine oxide
CID 135709570
1-phenyl-N-(3,4,5-trimethylphenyl)methanimine oxide
CID 88774509
1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 22807932
1-(2,6-dichlorophenyl)-N-methylmethanimine oxide
CID 6193980
1-phenyl-N-propan-2-ylmethanimine oxide
CID 10397124
2-benzylsulfanyl-1-chloro-3-nitrobenzene
CID 15340168
1-chloro-2-nitrobenzene;methanol
CID 157371441
1-phenyl-N-phenylsulfanylmethanimine oxide
CID 150091128

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide (CID 88775538) is N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide is [O-][N+](=Cc1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide?
The InChIKey is CJAJUJFIKNLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-11-7-4-8-12(13(11)15)16(17)9-10-5-2-1-3-6-10/h1-9H.
What are the key properties of N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide?
N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide has a molecular weight of 266.13 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 88775538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).