[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate

C32H26ClNO5 — CID 22305550

IUPAC[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate
SMILESO=C(CN(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C32H26ClNO5/c33-27-18-16-26(17-19-27)32(31(38)25-14-8-3-9-15-25)39-30(37)22-34(28(35)20-23-10-4-1-5-11-23)29(36)21-24-12-6-2-7-13-24/h1-19,32H,20-22H2
InChIKeyOBAQCFGOTKYEEP-UHFFFAOYSA-N
MW540.02 g/mol
LogP5.65
Rot. Bonds10

About [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate (PubChem CID 22305550) has the molecular formula C32H26ClNO5 and a molecular weight of 540.02 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate
PubChem CID22305550
Molecular FormulaC32H26ClNO5
Molecular Weight540.02 g/mol
Exact Mass539.15
IUPAC Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate
SMILESO=C(CN(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C32H26ClNO5/c33-27-18-16-26(17-19-27)32(31(38)25-14-8-3-9-15-25)39-30(37)22-34(28(35)20-23-10-4-1-5-11-23)29(36)21-24-12-6-2-7-13-24/h1-19,32H,20-22H2
InChIKeyOBAQCFGOTKYEEP-UHFFFAOYSA-N
XLogP5.65
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.02
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate
CID 23906655
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
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299
[(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
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate?
The IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate (CID 22305550) is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate?
The canonical SMILES for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate is O=C(CN(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate?
The InChIKey is OBAQCFGOTKYEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClNO5/c33-27-18-16-26(17-19-27)32(31(38)25-14-8-3-9-15-25)39-30(37)22-34(28(35)20-23-10-4-1-5-11-23)29(36)21-24-12-6-2-7-13-24/h1-19,32H,20-22H2.
What are the key properties of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate?
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate has a molecular weight of 540.02 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 22305550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).