ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate

C20H20ClNO3 — CID 102275849

IUPACethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CC(=O)N(Cc2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c1-2-25-20(24)17-12-18(23)22(13-14-6-4-3-5-7-14)19(17)15-8-10-16(21)11-9-15/h3-11,17,19H,2,12-13H2,1H3
InChIKeyBBGLGDAHHNIZQD-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.99
Rot. Bonds5

About ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate

ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 102275849) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID102275849
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Nameethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CC(=O)N(Cc2ccccc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO3/c1-2-25-20(24)17-12-18(23)22(13-14-6-4-3-5-7-14)19(17)15-8-10-16(21)11-9-15/h3-11,17,19H,2,12-13H2,1H3
InChIKeyBBGLGDAHHNIZQD-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530
ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 70999194
ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate
CID 11739857
methyl (2S)-1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 138725405
ethyl 4-benzyl-6-(4-chlorobenzoyl)-3,5-bis(4-chlorophenyl)-1,1-dioxo-1,4-thiazinane-2-carboxylate
CID 45482826
tetraethyl 9-benzyl-1,2,3,4,5,6,7,8-octahydrocarbazole-2,3,6,7-tetracarboxylate
CID 101030468
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
CID 11780817
ethyl 4-benzyl-6-(4-chlorobenzoyl)-3,5-bis(4-methylphenyl)-1,1-dioxo-1,4-thiazinane-2-carboxylate
CID 45482829
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 102275849) is ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is CCOC(=O)C1CC(=O)N(Cc2ccccc2)C1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BBGLGDAHHNIZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-2-25-20(24)17-12-18(23)22(13-14-6-4-3-5-7-14)19(17)15-8-10-16(21)11-9-15/h3-11,17,19H,2,12-13H2,1H3.
What are the key properties of ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 357.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 102275849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).