N-(4-chlorophenyl)-1-phenylmethanimine oxide

C13H10ClNO — CID 5371523

IUPACN-(4-chlorophenyl)-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO/c14-12-6-8-13(9-7-12)15(16)10-11-4-2-1-3-5-11/h1-10H/b15-10-
InChIKeySQFOKZCBFNORNB-GDNBJRDFSA-N
MW231.68 g/mol
LogP3.60
Rot. Bonds2

About N-(4-chlorophenyl)-1-phenylmethanimine oxide

N-(4-chlorophenyl)-1-phenylmethanimine oxide (PubChem CID 5371523) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-phenylmethanimine oxide
PubChem CID5371523
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC NameN-(4-chlorophenyl)-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO/c14-12-6-8-13(9-7-12)15(16)10-11-4-2-1-3-5-11/h1-10H/b15-10-
InChIKeySQFOKZCBFNORNB-GDNBJRDFSA-N
XLogP3.60
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.60
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-chlorophenyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(4-chlorophenyl)-1-phenylmethanimine oxide (CID 5371523) is N-(4-chlorophenyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(4-chlorophenyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(4-chlorophenyl)-1-phenylmethanimine oxide is [O-]/[N+](=C\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-phenylmethanimine oxide?
The InChIKey is SQFOKZCBFNORNB-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-12-6-8-13(9-7-12)15(16)10-11-4-2-1-3-5-11/h1-10H/b15-10-.
What are the key properties of N-(4-chlorophenyl)-1-phenylmethanimine oxide?
N-(4-chlorophenyl)-1-phenylmethanimine oxide has a molecular weight of 231.68 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 5371523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).