3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide

C16H23FN2O2 — CID 56783504

IUPAC3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide
SMILESCOCCN1CCC(NC(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-21-11-10-19-9-8-15(12-19)18-16(20)7-4-13-2-5-14(17)6-3-13/h2-3,5-6,15H,4,7-12H2,1H3,(H,18,20)
InChIKeyYERUKLWENWDWEJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.60
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide

3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide (PubChem CID 56783504) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide
PubChem CID56783504
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide
SMILESCOCCN1CCC(NC(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-21-11-10-19-9-8-15(12-19)18-16(20)7-4-13-2-5-14(17)6-3-13/h2-3,5-6,15H,4,7-12H2,1H3,(H,18,20)
InChIKeyYERUKLWENWDWEJ-UHFFFAOYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide (CID 56783504) is 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide is COCCN1CCC(NC(=O)CCc2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is YERUKLWENWDWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-11-10-19-9-8-15(12-19)18-16(20)7-4-13-2-5-14(17)6-3-13/h2-3,5-6,15H,4,7-12H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide?
3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 294.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 56783504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).