(3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione

C19H19FN2O2 — CID 125140630

IUPAC(3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2cncc(F)c2)C1=O
InChIInChI=1S/C19H19FN2O2/c1-3-19(15-6-4-13(2)5-7-15)9-17(23)22(18(19)24)12-14-8-16(20)11-21-10-14/h4-8,10-11H,3,9,12H2,1-2H3/t19-/m0/s1
InChIKeyJOVQXPAUDAWZCT-IBGZPJMESA-N
MW326.37 g/mol
LogP3.14
Rot. Bonds4

About (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione

(3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 125140630) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID125140630
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2cncc(F)c2)C1=O
InChIInChI=1S/C19H19FN2O2/c1-3-19(15-6-4-13(2)5-7-15)9-17(23)22(18(19)24)12-14-8-16(20)11-21-10-14/h4-8,10-11H,3,9,12H2,1-2H3/t19-/m0/s1
InChIKeyJOVQXPAUDAWZCT-IBGZPJMESA-N
XLogP3.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione (CID 125140630) is (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione is CC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2cncc(F)c2)C1=O.
What is the InChIKey of (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is JOVQXPAUDAWZCT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-19(15-6-4-13(2)5-7-15)9-17(23)22(18(19)24)12-14-8-16(20)11-21-10-14/h4-8,10-11H,3,9,12H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione?
(3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 326.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]-3-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 125140630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).