1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid

C13H13ClN2O4 — CID 62874491

IUPAC1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(CN1C(=O)CCC1C(=O)O)Nc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O4/c14-8-3-1-2-4-9(8)15-11(17)7-16-10(13(19)20)5-6-12(16)18/h1-4,10H,5-7H2,(H,15,17)(H,19,20)
InChIKeyIOKDQTMLKUNMPK-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid

1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 62874491) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID62874491
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(CN1C(=O)CCC1C(=O)O)Nc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O4/c14-8-3-1-2-4-9(8)15-11(17)7-16-10(13(19)20)5-6-12(16)18/h1-4,10H,5-7H2,(H,15,17)(H,19,20)
InChIKeyIOKDQTMLKUNMPK-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-chlorophenyl)acetamide
CID 2708226
N-(2-chlorophenyl)-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022378
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid (CID 62874491) is 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(CN1C(=O)CCC1C(=O)O)Nc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is IOKDQTMLKUNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c14-8-3-1-2-4-9(8)15-11(17)7-16-10(13(19)20)5-6-12(16)18/h1-4,10H,5-7H2,(H,15,17)(H,19,20).
What are the key properties of 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 296.71 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62874491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).