(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione

C18H16FNO2 — CID 671190

IUPAC(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESC[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H16FNO2/c1-12(13-5-3-2-4-6-13)16-11-17(21)20(18(16)22)15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3/t12-,16-/m0/s1
InChIKeyIKDCVTBVOYCVLT-LRDDRELGSA-N
MW297.33 g/mol
LogP3.51
Rot. Bonds3

About (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione

(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 671190) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
PubChem CID671190
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESC[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H16FNO2/c1-12(13-5-3-2-4-6-13)16-11-17(21)20(18(16)22)15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3/t12-,16-/m0/s1
InChIKeyIKDCVTBVOYCVLT-LRDDRELGSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903
(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 98079235
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 970048
(3R)-1-(1,3-benzothiazol-2-yl)-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7335607
3-(2,4-dioxopentan-3-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 146162889
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 1091344
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-(1-phenylethyl)acetamide
CID 23915141

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione (CID 671190) is (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione is C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is IKDCVTBVOYCVLT-LRDDRELGSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(13-5-3-2-4-6-13)16-11-17(21)20(18(16)22)15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3/t12-,16-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 297.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 671190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).