3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide

C16H23FN2O — CID 110620424

IUPAC3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)CCc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H23FN2O/c1-13(19-10-2-3-11-19)12-18-16(20)9-6-14-4-7-15(17)8-5-14/h4-5,7-8,13H,2-3,6,9-12H2,1H3,(H,18,20)
InChIKeyVEBNEWSOZMKLGY-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.36
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide

3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 110620424) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
PubChem CID110620424
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)CCc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H23FN2O/c1-13(19-10-2-3-11-19)12-18-16(20)9-6-14-4-7-15(17)8-5-14/h4-5,7-8,13H,2-3,6,9-12H2,1H3,(H,18,20)
InChIKeyVEBNEWSOZMKLGY-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 110353187
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110622313
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110353190
4-[3-[2-(4-fluorophenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119186689
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide (CID 110620424) is 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide is CC(CNC(=O)CCc1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is VEBNEWSOZMKLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-13(19-10-2-3-11-19)12-18-16(20)9-6-14-4-7-15(17)8-5-14/h4-5,7-8,13H,2-3,6,9-12H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide?
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 278.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110620424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).