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

C26H28ClFN2O4 — CID 42247561

IUPAC(3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
SMILESCOCCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C26H28ClFN2O4/c1-34-15-5-14-30-24(32)17-26(25(30)33,20-6-2-3-7-21(20)27)16-23(31)29-13-4-8-22(29)18-9-11-19(28)12-10-18/h2-3,6-7,9-12,22H,4-5,8,13-17H2,1H3/t22-,26-/m1/s1
InChIKeyWAPSDHZRXHPLNU-ATIYNZHBSA-N
MW486.97 g/mol
LogP4.27
Rot. Bonds8

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

(3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione (PubChem CID 42247561) has the molecular formula C26H28ClFN2O4 and a molecular weight of 486.97 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
PubChem CID42247561
Molecular FormulaC26H28ClFN2O4
Molecular Weight486.97 g/mol
Exact Mass486.17
IUPAC Name(3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
SMILESCOCCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C26H28ClFN2O4/c1-34-15-5-14-30-24(32)17-26(25(30)33,20-6-2-3-7-21(20)27)16-23(31)29-13-4-8-22(29)18-9-11-19(28)12-10-18/h2-3,6-7,9-12,22H,4-5,8,13-17H2,1H3/t22-,26-/m1/s1
InChIKeyWAPSDHZRXHPLNU-ATIYNZHBSA-N
XLogP4.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.97
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
3-(2-Chlorophenyl)-1-(3-methoxypropyl)-3-{2-[3-(2-methylphenyl)-1-piperidinyl]-2-oxoethyl}-2,5-pyrrolidinedione
CID 45183038
3-(2-chlorophenyl)-3-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-(3-methoxypropyl)-2,5-pyrrolidinedione
CID 45184953
N-benzyl-2-[1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methylacetamide
CID 45188601
3-[2-(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-pyrrolidinedione
CID 45203141
3-(2-Chlorophenyl)-1-cyclopentyl-3-{2-[3-(4-fluorophenyl)-1-pyrrolidinyl]-2-oxoethyl}-2,5-pyrrolidinedione
CID 45205749
3-[2-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 126462583
3-(2-Chlorophenyl)-3-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 126463486
2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126464486
(3R)-3-[(2-chloro-4-fluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741178

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione (CID 42247561) is (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione is COCCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)(c2ccccc2Cl)C1=O.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
The InChIKey is WAPSDHZRXHPLNU-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H28ClFN2O4/c1-34-15-5-14-30-24(32)17-26(25(30)33,20-6-2-3-7-21(20)27)16-23(31)29-13-4-8-22(29)18-9-11-19(28)12-10-18/h2-3,6-7,9-12,22H,4-5,8,13-17H2,1H3/t22-,26-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione?
(3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione has a molecular weight of 486.97 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42247561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).