3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C27H28ClFN2O3 — CID 45205749

IUPAC3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CC1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C27H28ClFN2O3/c28-23-8-4-3-7-22(23)27(16-25(33)31(26(27)34)21-5-1-2-6-21)15-24(32)30-14-13-19(17-30)18-9-11-20(29)12-10-18/h3-4,7-12,19,21H,1-2,5-6,13-17H2
InChIKeyHCJWDZXDMAOPGE-UHFFFAOYSA-N
MW482.98 g/mol
LogP4.82
Rot. Bonds5

About 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45205749) has the molecular formula C27H28ClFN2O3 and a molecular weight of 482.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45205749
Molecular FormulaC27H28ClFN2O3
Molecular Weight482.98 g/mol
Exact Mass482.18
IUPAC Name3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CC1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C27H28ClFN2O3/c28-23-8-4-3-7-22(23)27(16-25(33)31(26(27)34)21-5-1-2-6-21)15-24(32)30-14-13-19(17-30)18-9-11-20(29)12-10-18/h3-4,7-12,19,21H,1-2,5-6,13-17H2
InChIKeyHCJWDZXDMAOPGE-UHFFFAOYSA-N
XLogP4.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 54.82
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

2,5-Pyrrolidinedione, 3-(4-chlorophenyl)-1-cyclohexyl-
CID 3071966
2,5-Pyrrolidinedione, 3-(2-chlorophenyl)-1-cyclohexyl-
CID 3071967
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
1-Cyclopentyl-3-(3-fluorophenyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,5-pyrrolidinedione
CID 45169961
2-[3-(2-chlorophenyl)-1-(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-fluorobenzyl)-N-methylacetamide
CID 45172547
3-(2-Chlorophenyl)-3-{2-[3-(4-fluorophenyl)-1-pyrrolidinyl]-2-oxoethyl}-1-(3-methoxypropyl)-2,5-pyrrolidinedione
CID 45177120
3-[2-(2-Azabicyclo[2.2.1]hept-2-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-pyrrolidinedione
CID 45181283
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-isobutyl-N-methylacetamide
CID 45184681
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-{2-[(2S)-2-isopropyl-4-methyl-1-piperazinyl]-2-oxoethyl}-2,5-pyrrolidinedione
CID 45200208
3-[2-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 126462583

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45205749) is 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CC1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is HCJWDZXDMAOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN2O3/c28-23-8-4-3-7-22(23)27(16-25(33)31(26(27)34)21-5-1-2-6-21)15-24(32)30-14-13-19(17-30)18-9-11-20(29)12-10-18/h3-4,7-12,19,21H,1-2,5-6,13-17H2.
What are the key properties of 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 482.98 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45205749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).