N-(3-chlorophenyl)-1-phenylmethanimine oxide

C13H10ClNO — CID 12672716

IUPACN-(3-chlorophenyl)-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO/c14-12-7-4-8-13(9-12)15(16)10-11-5-2-1-3-6-11/h1-10H/b15-10-
InChIKeyZHXJVVRBKITVLS-GDNBJRDFSA-N
MW231.68 g/mol
LogP3.60
Rot. Bonds2

About N-(3-chlorophenyl)-1-phenylmethanimine oxide

N-(3-chlorophenyl)-1-phenylmethanimine oxide (PubChem CID 12672716) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-phenylmethanimine oxide
PubChem CID12672716
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC NameN-(3-chlorophenyl)-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO/c14-12-7-4-8-13(9-12)15(16)10-11-5-2-1-3-6-11/h1-10H/b15-10-
InChIKeyZHXJVVRBKITVLS-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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Related Compounds

1-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)methanimine oxide
CID 88774814
1-phenyl-N-(3,4,5-trimethylphenyl)methanimine oxide
CID 88774509
N-(4-hydroxyphenyl)-1-phenylmethanimine oxide
CID 88774477
1-(3-cyanophenyl)-N-phenylmethanimine oxide
CID 125114778
N-(2,3-dichlorophenyl)-1-phenylmethanimine oxide
CID 88775538
N-(3-nitrophenyl)-1-(4-nitrophenyl)methanimine oxide
CID 15829186
N-phenyl-1-(3,4,5-trimethylphenyl)methanimine oxide
CID 88775473
N-(3-bromo-4-methoxyphenyl)-1-phenylmethanimine oxide
CID 58399528
1-[4-(4-chlorophenyl)sulfonyloxyphenyl]-N-phenylmethanimine oxide
CID 124926421
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239
1-phenyl-N-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 22807932
1-(2-chlorophenyl)-N-(3-hydroxyphenyl)methanimine oxide
CID 88776339

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(3-chlorophenyl)-1-phenylmethanimine oxide (CID 12672716) is N-(3-chlorophenyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(3-chlorophenyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(3-chlorophenyl)-1-phenylmethanimine oxide is [O-]/[N+](=C\c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-phenylmethanimine oxide?
The InChIKey is ZHXJVVRBKITVLS-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-12-7-4-8-13(9-12)15(16)10-11-5-2-1-3-6-11/h1-10H/b15-10-.
What are the key properties of N-(3-chlorophenyl)-1-phenylmethanimine oxide?
N-(3-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-(3-chlorophenyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 12672716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).