1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

C16H23FN2O2 — CID 119793843

IUPAC1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CC(C)CC1c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-12-9-15(13-5-3-4-6-14(13)17)19(11-12)16(20)10-18-7-8-21-2/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyVBRDXWOSGFIGNG-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119793843) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119793843
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CC(C)CC1c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-12-9-15(13-5-3-4-6-14(13)17)19(11-12)16(20)10-18-7-8-21-2/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyVBRDXWOSGFIGNG-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (CID 119793843) is 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CC(C)CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is VBRDXWOSGFIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-9-15(13-5-3-4-6-14(13)17)19(11-12)16(20)10-18-7-8-21-2/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 294.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119793843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).