(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one

C20H15ClF5NO3 — CID 158673091

IUPAC(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one
SMILESO=C(CCc1cc(F)cc(Cl)c1)[C@]1(O)CCN(c2cc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C20H15ClF5NO3/c21-13-7-11(8-14(22)10-13)1-4-17(28)19(30)5-6-27(18(19)29)16-9-12(20(24,25)26)2-3-15(16)23/h2-3,7-10,30H,1,4-6H2/t19-/m1/s1
InChIKeyIEEPHMDFHBLQAU-LJQANCHMSA-N
MW447.79 g/mol
LogP4.31
Rot. Bonds5

About (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one

(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one (PubChem CID 158673091) has the molecular formula C20H15ClF5NO3 and a molecular weight of 447.79 g/mol. Its IUPAC name is (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one
PubChem CID158673091
Molecular FormulaC20H15ClF5NO3
Molecular Weight447.79 g/mol
Exact Mass447.07
IUPAC Name(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one
SMILESO=C(CCc1cc(F)cc(Cl)c1)[C@]1(O)CCN(c2cc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C20H15ClF5NO3/c21-13-7-11(8-14(22)10-13)1-4-17(28)19(30)5-6-27(18(19)29)16-9-12(20(24,25)26)2-3-15(16)23/h2-3,7-10,30H,1,4-6H2/t19-/m1/s1
InChIKeyIEEPHMDFHBLQAU-LJQANCHMSA-N
XLogP4.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-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

2-[3-[3-(3-chloro-5-fluorophenyl)propanoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]benzamide
CID 161415625
(3S)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-3-hydroxy-1-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)pyrrolidin-2-one
CID 152859975
3-[3-(3-chloro-5-fluorophenyl)propanoyl]-N-ethyl-3-hydroxy-2-oxopyrrolidine-1-carboxamide
CID 158543454
(3S)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-3-hydroxy-1-[2-(piperazine-1-carbonyl)-1H-indol-5-yl]pyrrolidin-2-one
CID 148585983
4-[5-[3-[3-(3-chloro-5-fluorophenyl)propanoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-3-methyl-2-pyridinyl]morpholin-3-one
CID 158648037
[(3S)-3-hydroxy-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N-[2-(3-chloro-5-fluorophenyl)ethyl]carbamate
CID 118570573
(3R)-3-[3-(3,5-difluorophenyl)propanoyl]-3-hydroxy-1-(1H-indazol-5-yl)pyrrolidin-2-one
CID 160811561
1-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-4-(trifluoromethyl)phenyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 141376897
(3R)-1-(2-amino-3-ethylsulfonylphenyl)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 121347018
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 118884373
6-[(3R)-3-[4-(3,5-difluorophenyl)butanoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 152902523
3-[5-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 149364242

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one (CID 158673091) is (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one is O=C(CCc1cc(F)cc(Cl)c1)[C@]1(O)CCN(c2cc(C(F)(F)F)ccc2F)C1=O.
What is the InChIKey of (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one?
The InChIKey is IEEPHMDFHBLQAU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15ClF5NO3/c21-13-7-11(8-14(22)10-13)1-4-17(28)19(30)5-6-27(18(19)29)16-9-12(20(24,25)26)2-3-15(16)23/h2-3,7-10,30H,1,4-6H2/t19-/m1/s1.
What are the key properties of (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one?
(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one has a molecular weight of 447.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 158673091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).