[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate

C18H15Cl2NO3 — CID 35544576

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15Cl2NO3/c19-15-3-1-4-16(20)14(15)11-18(23)24-13-8-6-12(7-9-13)21-10-2-5-17(21)22/h1,3-4,6-9H,2,5,10-11H2
InChIKeyWGAXXIARFLBOOS-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.27
Rot. Bonds4

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 35544576) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID35544576
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15Cl2NO3/c19-15-3-1-4-16(20)14(15)11-18(23)24-13-8-6-12(7-9-13)21-10-2-5-17(21)22/h1,3-4,6-9H,2,5,10-11H2
InChIKeyWGAXXIARFLBOOS-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 51114000
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 35545507
(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 27826070
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(thiophene-2-carbonylamino)propanoate
CID 35545606
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
CID 27283261
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
CID 35545428
(2-bromo-4-chlorophenyl) 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 26705104
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
CID 75405912

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate (CID 35544576) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate is O=C(Cc1c(Cl)cccc1Cl)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is WGAXXIARFLBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c19-15-3-1-4-16(20)14(15)11-18(23)24-13-8-6-12(7-9-13)21-10-2-5-17(21)22/h1,3-4,6-9H,2,5,10-11H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 364.23 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 35544576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).