1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide

C14H11Cl2NO — CID 88774814

IUPAC1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide
SMILESCc1c(Cl)cccc1C=[N+]([O-])c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c1-10-11(4-2-7-14(10)16)9-17(18)13-6-3-5-12(15)8-13/h2-9H,1H3
InChIKeySMEJJGNLMZAIRS-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.56
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide

1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide (PubChem CID 88774814) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide
PubChem CID88774814
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide
SMILESCc1c(Cl)cccc1C=[N+]([O-])c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c1-10-11(4-2-7-14(10)16)9-17(18)13-6-3-5-12(15)8-13/h2-9H,1H3
InChIKeySMEJJGNLMZAIRS-UHFFFAOYSA-N
XLogP4.56
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.56
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 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide (CID 88774814) is 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide is Cc1c(Cl)cccc1C=[N+]([O-])c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide?
The InChIKey is SMEJJGNLMZAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-10-11(4-2-7-14(10)16)9-17(18)13-6-3-5-12(15)8-13/h2-9H,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide?
1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide has a molecular weight of 280.15 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide is sourced from PubChem (CID 88774814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).