(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate

C15H17ClN2O4 — CID 2433789

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H17ClN2O4/c16-12-5-3-11(4-6-12)15(21)17-9-14(20)22-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10H2,(H,17,21)
InChIKeyGMDKHDIEASTRLM-UHFFFAOYSA-N
MW324.76 g/mol
LogP1.24
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 2433789) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID2433789
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H17ClN2O4/c16-12-5-3-11(4-6-12)15(21)17-9-14(20)22-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10H2,(H,17,21)
InChIKeyGMDKHDIEASTRLM-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Moclobemide
CID 4235
N-(4-Chlorobenzoyl)glycine
CID 26009
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
Methyl 2-[(3-chlorophenyl)carbonylamino]acetate
CID 669189
Ro 12-8095
CID 126278
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2407437
4-chloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 2977748
(2-Oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
CID 3908649
[2-(Cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4782978
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate (CID 2433789) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is GMDKHDIEASTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c16-12-5-3-11(4-6-12)15(21)17-9-14(20)22-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10H2,(H,17,21).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 324.76 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2433789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).