2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide

C14H10ClNO2 — CID 11974775

IUPAC2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide
SMILESO=C(/C=[N+](\[O-])c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2/c15-12-8-6-11(7-9-12)14(17)10-16(18)13-4-2-1-3-5-13/h1-10H/b16-10-
InChIKeyTVZRBOJXXORKOV-YBEGLDIGSA-N
MW259.69 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide

2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide (PubChem CID 11974775) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide
PubChem CID11974775
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide
SMILESO=C(/C=[N+](\[O-])c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2/c15-12-8-6-11(7-9-12)14(17)10-16(18)13-4-2-1-3-5-13/h1-10H/b16-10-
InChIKeyTVZRBOJXXORKOV-YBEGLDIGSA-N
XLogP3.44
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide
CID 13221738
N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimine oxide
CID 85444633
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
chlorobenzene;2-oxo-2-phenylethanethial
CID 160849489
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
4-chloro(13C)benzoic acid
CID 66995527
N-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)methanimine oxide
CID 4548622
1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 11176351
[4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate
CID 3545269
[2-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate
CID 3545267

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide?
The IUPAC name of 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide (CID 11974775) is 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide?
The canonical SMILES for 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide is O=C(/C=[N+](\[O-])c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide?
The InChIKey is TVZRBOJXXORKOV-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-12-8-6-11(7-9-12)14(17)10-16(18)13-4-2-1-3-5-13/h1-10H/b16-10-.
What are the key properties of 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide?
2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide has a molecular weight of 259.69 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-oxo-N-phenylethanimine oxide is sourced from PubChem (CID 11974775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).