1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione

C19H21FN2O3 — CID 100726274

IUPAC1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-13-3-1-12(2-4-13)9-19(25)21-14-5-6-15(21)11-16(10-14)22-17(23)7-8-18(22)24/h1-4,14-16H,5-11H2/t14-,15+,16?
InChIKeyGQGQHTJVMVJSKT-XYPWUTKMSA-N
MW344.39 g/mol
LogP2.04
Rot. Bonds3

About 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione

1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione (PubChem CID 100726274) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
PubChem CID100726274
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-13-3-1-12(2-4-13)9-19(25)21-14-5-6-15(21)11-16(10-14)22-17(23)7-8-18(22)24/h1-4,14-16H,5-11H2/t14-,15+,16?
InChIKeyGQGQHTJVMVJSKT-XYPWUTKMSA-N
XLogP2.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 122255205
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468
1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 86265591
1-[(1R,5S)-8-(2-cyclopentylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 99990924
1-[8-[(E)-3-phenylprop-2-enoyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 86265578
1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 82122509
1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone
CID 80677382
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methoxyphenyl)ethanone
CID 61234245
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521
1-cyclopropyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazol-2-one
CID 80581320
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione (CID 100726274) is 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
The InChIKey is GQGQHTJVMVJSKT-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-13-3-1-12(2-4-13)9-19(25)21-14-5-6-15(21)11-16(10-14)22-17(23)7-8-18(22)24/h1-4,14-16H,5-11H2/t14-,15+,16?.
What are the key properties of 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione?
1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione has a molecular weight of 344.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 100726274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).