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

C28H31FN2O4 — CID 42482742

IUPAC(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1[C@]1(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C28H31FN2O4/c1-35-24-11-5-4-9-22(24)28(18-26(33)31(27(28)34)21-7-2-3-8-21)17-25(32)30-16-6-10-23(30)19-12-14-20(29)15-13-19/h4-5,9,11-15,21,23H,2-3,6-8,10,16-18H2,1H3/t23-,28+/m1/s1
InChIKeyCGKXICKEAISAPM-LXFBAYGMSA-N
MW478.56 g/mol
LogP4.53
Rot. Bonds6

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

(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 42482742) has the molecular formula C28H31FN2O4 and a molecular weight of 478.56 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID42482742
Molecular FormulaC28H31FN2O4
Molecular Weight478.56 g/mol
Exact Mass478.23
IUPAC Name(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1[C@]1(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C28H31FN2O4/c1-35-24-11-5-4-9-22(24)28(18-26(33)31(27(28)34)21-7-2-3-8-21)17-25(32)30-16-6-10-23(30)19-12-14-20(29)15-13-19/h4-5,9,11-15,21,23H,2-3,6-8,10,16-18H2,1H3/t23-,28+/m1/s1
InChIKeyCGKXICKEAISAPM-LXFBAYGMSA-N
XLogP4.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
CID 45251128
(3S)-1-cyclopentyl-3-(2-fluorophenyl)-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125168614
(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42321924
(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide
CID 45165519
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469
2-[(3S)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylacetamide
CID 42461529
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 26281154
ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26274347
methyl (2S)-1-[2-[(3R)-3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxylate
CID 42191101
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45172637
(3R)-3-[2-[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 98590702
(3R)-3-[2-[(1R,5R)-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 98347590

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione (CID 42482742) is (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is CGKXICKEAISAPM-LXFBAYGMSA-N. The full InChI is InChI=1S/C28H31FN2O4/c1-35-24-11-5-4-9-22(24)28(18-26(33)31(27(28)34)21-7-2-3-8-21)17-25(32)30-16-6-10-23(30)19-12-14-20(29)15-13-19/h4-5,9,11-15,21,23H,2-3,6-8,10,16-18H2,1H3/t23-,28+/m1/s1.
What are the key properties of (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione?
(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 478.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42482742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).