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

C24H16ClNO5 — CID 126187299

IUPAC[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H16ClNO5/c25-17-12-10-16(11-13-17)22(21(28)15-6-2-1-3-7-15)31-20(27)14-26-23(29)18-8-4-5-9-19(18)24(26)30/h1-13,22H,14H2/t22-/m0/s1
InChIKeyYZDBCXUFUNUJFP-QFIPXVFZSA-N
MW433.85 g/mol
LogP4.10
Rot. Bonds6

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

[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 126187299) has the molecular formula C24H16ClNO5 and a molecular weight of 433.85 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID126187299
Molecular FormulaC24H16ClNO5
Molecular Weight433.85 g/mol
Exact Mass433.07
IUPAC Name[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H16ClNO5/c25-17-12-10-16(11-13-17)22(21(28)15-6-2-1-3-7-15)31-20(27)14-26-23(29)18-8-4-5-9-19(18)24(26)30/h1-13,22H,14H2/t22-/m0/s1
InChIKeyYZDBCXUFUNUJFP-QFIPXVFZSA-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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Related Compounds

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
CID 4205916
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate
CID 22305550
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763359
[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435756

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 126187299) is [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is YZDBCXUFUNUJFP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H16ClNO5/c25-17-12-10-16(11-13-17)22(21(28)15-6-2-1-3-7-15)31-20(27)14-26-23(29)18-8-4-5-9-19(18)24(26)30/h1-13,22H,14H2/t22-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[(1S)-1-(4-chlorophenyl)-2-oxo-2-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 [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 126187299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).