3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione

C23H22ClFN2O3 — CID 126462583

IUPAC3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CC(=O)N2CCC(c3ccccc3Cl)C2)(c2cccc(F)c2)C1=O
InChIInChI=1S/C23H22ClFN2O3/c1-26-20(28)12-23(22(26)30,16-5-4-6-17(25)11-16)13-21(29)27-10-9-15(14-27)18-7-2-3-8-19(18)24/h2-8,11,15H,9-10,12-14H2,1H3
InChIKeyACHPHQWRCRPKMK-UHFFFAOYSA-N
MW428.89 g/mol
LogP3.51
Rot. Bonds4

About 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione

3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 126462583) has the molecular formula C23H22ClFN2O3 and a molecular weight of 428.89 g/mol. Its IUPAC name is 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID126462583
Molecular FormulaC23H22ClFN2O3
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC Name3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CC(=O)N2CCC(c3ccccc3Cl)C2)(c2cccc(F)c2)C1=O
InChIInChI=1S/C23H22ClFN2O3/c1-26-20(28)12-23(22(26)30,16-5-4-6-17(25)11-16)13-21(29)27-10-9-15(14-27)18-7-2-3-8-19(18)24/h2-8,11,15H,9-10,12-14H2,1H3
InChIKeyACHPHQWRCRPKMK-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-Chlorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 45555616
2,5-Pyrrolidinedione, 3-(2-chlorophenyl)-1-cyclohexyl-
CID 3071967
2-[2-(2-Chloro-6-fluorophenyl)acetyl]-N-methyl-2-azaspiro[4.4]nonane-4-carboxamide
CID 71836668
1-[(4-Benzylpiperidin-1-yl)methyl]-3-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 72204391
2-(1-(2-(2-chloro-6-fluorophenyl)acetyl)azetidin-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 86265391
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
CID 42248440
2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
CID 42468116
2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-fluorobenzyl)-N-methylacetamide
CID 45172547
3-[2-(4-Benzyl-1-piperidinyl)-2-oxoethyl]-3-(3-fluorophenyl)-1-methyl-2,5-pyrrolidinedione
CID 45175707
3-(2-Chlorophenyl)-3-{2-[3-(4-fluorophenyl)-1-pyrrolidinyl]-2-oxoethyl}-1-(3-methoxypropyl)-2,5-pyrrolidinedione
CID 45177120
1-[2-(Dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,5-pyrrolidinedione
CID 45178191
N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 45178308

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione (CID 126462583) is 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(CC(=O)N2CCC(c3ccccc3Cl)C2)(c2cccc(F)c2)C1=O.
What is the InChIKey of 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is ACHPHQWRCRPKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3/c1-26-20(28)12-23(22(26)30,16-5-4-6-17(25)11-16)13-21(29)27-10-9-15(14-27)18-7-2-3-8-19(18)24/h2-8,11,15H,9-10,12-14H2,1H3.
What are the key properties of 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione?
3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 428.89 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 126462583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).