(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

C23H25FN2O4 — CID 92597743

IUPAC(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1OC
InChIInChI=1S/C23H25FN2O4/c1-29-20-9-8-15(11-21(20)30-2)19-7-4-10-25(19)23(28)16-12-22(27)26(14-16)18-6-3-5-17(24)13-18/h3,5-6,8-9,11,13,16,19H,4,7,10,12,14H2,1-2H3/t16-,19+/m1/s1
InChIKeyOJADCQDOXOAWGG-APWZRJJASA-N
MW412.46 g/mol
LogP3.56
Rot. Bonds5

About (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 92597743) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID92597743
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1OC
InChIInChI=1S/C23H25FN2O4/c1-29-20-9-8-15(11-21(20)30-2)19-7-4-10-25(19)23(28)16-12-22(27)26(14-16)18-6-3-5-17(24)13-18/h3,5-6,8-9,11,13,16,19H,4,7,10,12,14H2,1-2H3/t16-,19+/m1/s1
InChIKeyOJADCQDOXOAWGG-APWZRJJASA-N
XLogP3.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957927
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915
(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 33225652
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95352964
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938814
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 32910381
ethyl (3S)-1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93017526
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (CID 92597743) is (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1OC.
What is the InChIKey of (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is OJADCQDOXOAWGG-APWZRJJASA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-29-20-9-8-15(11-21(20)30-2)19-7-4-10-25(19)23(28)16-12-22(27)26(14-16)18-6-3-5-17(24)13-18/h3,5-6,8-9,11,13,16,19H,4,7,10,12,14H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 412.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 92597743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).