(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione

C23H29FN2O3 — CID 124755097

IUPAC(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@](CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)(c2cccc(F)c2)C1=O
InChIInChI=1S/C23H29FN2O3/c1-21(2)9-17-10-22(3,13-21)14-26(17)19(28)12-23(11-18(27)25(4)20(23)29)15-6-5-7-16(24)8-15/h5-8,17H,9-14H2,1-4H3/t17-,22+,23-/m1/s1
InChIKeyPPBGWYLOMXTFEU-MQNAVGNWSA-N
MW400.49 g/mol
LogP3.27
Rot. Bonds3

About (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione

(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 124755097) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID124755097
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@@](CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)(c2cccc(F)c2)C1=O
InChIInChI=1S/C23H29FN2O3/c1-21(2)9-17-10-22(3,13-21)14-26(17)19(28)12-23(11-18(27)25(4)20(23)29)15-6-5-7-16(24)8-15/h5-8,17H,9-14H2,1-4H3/t17-,22+,23-/m1/s1
InChIKeyPPBGWYLOMXTFEU-MQNAVGNWSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione (CID 124755097) is (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione is CN1C(=O)C[C@@](CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)(c2cccc(F)c2)C1=O.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is PPBGWYLOMXTFEU-MQNAVGNWSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-21(2)9-17-10-22(3,13-21)14-26(17)19(28)12-23(11-18(27)25(4)20(23)29)15-6-5-7-16(24)8-15/h5-8,17H,9-14H2,1-4H3/t17-,22+,23-/m1/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione?
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 400.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 124755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).