[2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C24H16ClNO5 — CID 2935050

IUPAC[2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OC(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H16ClNO5/c25-17-12-10-15(11-13-17)21(28)22(16-6-2-1-3-7-16)31-20(27)14-26-23(29)18-8-4-5-9-19(18)24(26)30/h1-13,22H,14H2
InChIKeyUZCYCNGTJYZXQT-UHFFFAOYSA-N
MW433.85 g/mol
LogP4.10
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 2935050) has the molecular formula C24H16ClNO5 and a molecular weight of 433.85 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID2935050
Molecular FormulaC24H16ClNO5
Molecular Weight433.85 g/mol
Exact Mass433.07
IUPAC Name[2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OC(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H16ClNO5/c25-17-12-10-15(11-13-17)21(28)22(16-6-2-1-3-7-16)31-20(27)14-26-23(29)18-8-4-5-9-19(18)24(26)30/h1-13,22H,14H2
InChIKeyUZCYCNGTJYZXQT-UHFFFAOYSA-N
XLogP4.10
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 2935050) is [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OC(C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is UZCYCNGTJYZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO5/c25-17-12-10-15(11-13-17)21(28)22(16-6-2-1-3-7-16)31-20(27)14-26-23(29)18-8-4-5-9-19(18)24(26)30/h1-13,22H,14H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 433.85 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 2935050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).