[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C15H14Cl2N2O5 — CID 2394384

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C15H14Cl2N2O5/c16-10-4-3-9(6-11(10)17)15(23)18-7-14(22)24-8-13(21)19-5-1-2-12(19)20/h3-4,6H,1-2,5,7-8H2,(H,18,23)
InChIKeyQIHVRIIENIXISM-UHFFFAOYSA-N
MW373.19 g/mol
LogP1.42
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 2394384) has the molecular formula C15H14Cl2N2O5 and a molecular weight of 373.19 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID2394384
Molecular FormulaC15H14Cl2N2O5
Molecular Weight373.19 g/mol
Exact Mass372.03
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C15H14Cl2N2O5/c16-10-4-3-9(6-11(10)17)15(23)18-7-14(22)24-8-13(21)19-5-1-2-12(19)20/h3-4,6H,1-2,5,7-8H2,(H,18,23)
InChIKeyQIHVRIIENIXISM-UHFFFAOYSA-N
XLogP1.42
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920586
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843493
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 2630465
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574538
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
CID 9218955
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 2633537
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653981
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29242477
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 2394384) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is QIHVRIIENIXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5/c16-10-4-3-9(6-11(10)17)15(23)18-7-14(22)24-8-13(21)19-5-1-2-12(19)20/h3-4,6H,1-2,5,7-8H2,(H,18,23).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 373.19 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 2394384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).