(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one

C25H28ClFN2O3 — CID 42406236

IUPAC(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cc(C[C@@]2(CCC(=O)N3CC[C@H](c4ccccc4Cl)C3)CCC(=O)N2)ccc1F
InChIInChI=1S/C25H28ClFN2O3/c1-32-22-14-17(6-7-21(22)27)15-25(11-8-23(30)28-25)12-9-24(31)29-13-10-18(16-29)19-4-2-3-5-20(19)26/h2-7,14,18H,8-13,15-16H2,1H3,(H,28,30)/t18-,25-/m0/s1
InChIKeyFFLRASBOADNGJQ-BVZFJXPGSA-N
MW458.96 g/mol
LogP4.48
Rot. Bonds7

About (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one

(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 42406236) has the molecular formula C25H28ClFN2O3 and a molecular weight of 458.96 g/mol. Its IUPAC name is (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID42406236
Molecular FormulaC25H28ClFN2O3
Molecular Weight458.96 g/mol
Exact Mass458.18
IUPAC Name(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cc(C[C@@]2(CCC(=O)N3CC[C@H](c4ccccc4Cl)C3)CCC(=O)N2)ccc1F
InChIInChI=1S/C25H28ClFN2O3/c1-32-22-14-17(6-7-21(22)27)15-25(11-8-23(30)28-25)12-9-24(31)29-13-10-18(16-29)19-4-2-3-5-20(19)26/h2-7,14,18H,8-13,15-16H2,1H3,(H,28,30)/t18-,25-/m0/s1
InChIKeyFFLRASBOADNGJQ-BVZFJXPGSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.96
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]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

(5R)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42434770
5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 45176353
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-[3-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42369963
4-[3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 42236300
5-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45240558
(5S)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42366712
(5R)-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42168825
(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-[3-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42430902
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
(5S)-5-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42372930
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-oxo-3-[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 25306534

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 42406236) is (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one is COc1cc(C[C@@]2(CCC(=O)N3CC[C@H](c4ccccc4Cl)C3)CCC(=O)N2)ccc1F.
What is the InChIKey of (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is FFLRASBOADNGJQ-BVZFJXPGSA-N. The full InChI is InChI=1S/C25H28ClFN2O3/c1-32-22-14-17(6-7-21(22)27)15-25(11-8-23(30)28-25)12-9-24(31)29-13-10-18(16-29)19-4-2-3-5-20(19)26/h2-7,14,18H,8-13,15-16H2,1H3,(H,28,30)/t18-,25-/m0/s1.
What are the key properties of (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 458.96 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 42406236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).