[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate

C22H23ClN2O4 — CID 42124134

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1Cl
InChIInChI=1S/C22H23ClN2O4/c1-15-8-9-16(13-17(15)23)10-11-22(28)29-14-20(26)24-18-5-2-3-6-19(18)25-12-4-7-21(25)27/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3,(H,24,26)
InChIKeyGVWPLJHPLPOVCL-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.89
Rot. Bonds7

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate (PubChem CID 42124134) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
PubChem CID42124134
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1Cl
InChIInChI=1S/C22H23ClN2O4/c1-15-8-9-16(13-17(15)23)10-11-22(28)29-14-20(26)24-18-5-2-3-6-19(18)25-12-4-7-21(25)27/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3,(H,24,26)
InChIKeyGVWPLJHPLPOVCL-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 55509816
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 18166634
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46669929
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55936058
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate (CID 42124134) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate is Cc1ccc(CCC(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1Cl.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate?
The InChIKey is GVWPLJHPLPOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-15-8-9-16(13-17(15)23)10-11-22(28)29-14-20(26)24-18-5-2-3-6-19(18)25-12-4-7-21(25)27/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate has a molecular weight of 414.89 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate is sourced from PubChem (CID 42124134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).