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

C13H10ClNO — CID 736566

IUPAC1-(4-chlorophenyl)-N-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H10ClNO/c14-12-8-6-11(7-9-12)10-15(16)13-4-2-1-3-5-13/h1-10H/b15-10-
InChIKeyJYXDRMQUJFWNKR-GDNBJRDFSA-N
MW231.68 g/mol
LogP3.60
Rot. Bonds2

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

1-(4-chlorophenyl)-N-phenylmethanimine oxide (PubChem CID 736566) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-phenylmethanimine oxide
PubChem CID736566
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name1-(4-chlorophenyl)-N-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H10ClNO/c14-12-8-6-11(7-9-12)10-15(16)13-4-2-1-3-5-13/h1-10H/b15-10-
InChIKeyJYXDRMQUJFWNKR-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 1-(4-chlorophenyl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(4-chlorophenyl)-N-phenylmethanimine oxide (CID 736566) is 1-(4-chlorophenyl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(4-chlorophenyl)-N-phenylmethanimine oxide is [O-]/[N+](=C\c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-phenylmethanimine oxide?
The InChIKey is JYXDRMQUJFWNKR-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-12-8-6-11(7-9-12)10-15(16)13-4-2-1-3-5-13/h1-10H/b15-10-.
What are the key properties of 1-(4-chlorophenyl)-N-phenylmethanimine oxide?
1-(4-chlorophenyl)-N-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 1-(4-chlorophenyl)-N-phenylmethanimine oxide is sourced from PubChem (CID 736566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).