2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide

C20H15ClN2O — CID 13221738

IUPAC2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide
SMILES[O-]/[N+](=C\C(=N/c1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15ClN2O/c21-17-13-11-16(12-14-17)20(22-18-7-3-1-4-8-18)15-23(24)19-9-5-2-6-10-19/h1-15H/b22-20+,23-15-
InChIKeyZGVRVWUGZNOPTA-XBQOMPAVSA-N
MW334.81 g/mol
LogP5.37
Rot. Bonds4

About 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide

2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide (PubChem CID 13221738) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide
PubChem CID13221738
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide
SMILES[O-]/[N+](=C\C(=N/c1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15ClN2O/c21-17-13-11-16(12-14-17)20(22-18-7-3-1-4-8-18)15-23(24)19-9-5-2-6-10-19/h1-15H/b22-20+,23-15-
InChIKeyZGVRVWUGZNOPTA-XBQOMPAVSA-N
XLogP5.37
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.37
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)-2-oxo-N-phenylethanimine oxide
CID 11974775
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261838
(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261997
(E)-1-(4-chlorophenyl)-3-(2,4-dimethylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261995
(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 137309663
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
[N-(4-chlorophenyl)-C-(4-nitrophenyl)carbonimidoyl]sulfanyl N-(4-chlorophenyl)-4-nitrobenzenecarboximidothioate
CID 71465652
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
CID 59789908
N-phenyl-1-(2,4,6-trichlorophenyl)methanimine oxide
CID 88775663
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-(4-carboxyphenyl)-N-phenylmethanimine oxide
CID 118506239

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide?
The IUPAC name of 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide (CID 13221738) is 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide?
The canonical SMILES for 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide is [O-]/[N+](=C\C(=N/c1ccccc1)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide?
The InChIKey is ZGVRVWUGZNOPTA-XBQOMPAVSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-17-13-11-16(12-14-17)20(22-18-7-3-1-4-8-18)15-23(24)19-9-5-2-6-10-19/h1-15H/b22-20+,23-15-.
What are the key properties of 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide?
2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide has a molecular weight of 334.81 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-phenyl-2-phenyliminoethanimine oxide is sourced from PubChem (CID 13221738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).