2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide

C13H17FN2O2 — CID 119450905

IUPAC2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC1CCNC1
InChIInChI=1S/C13H17FN2O2/c1-9(13(17)16-11-5-6-15-8-11)18-12-4-2-3-10(14)7-12/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyGKDACLUCJRURKF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.07
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide

2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119450905) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
PubChem CID119450905
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC1CCNC1
InChIInChI=1S/C13H17FN2O2/c1-9(13(17)16-11-5-6-15-8-11)18-12-4-2-3-10(14)7-12/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyGKDACLUCJRURKF-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
2-(3-fluorophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576605
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
CID 78853035
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
2-(3-fluorophenyl)-N-piperidin-3-ylpropanamide
CID 119424683
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide (CID 119450905) is 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide is CC(Oc1cccc(F)c1)C(=O)NC1CCNC1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is GKDACLUCJRURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(13(17)16-11-5-6-15-8-11)18-12-4-2-3-10(14)7-12/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide?
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 252.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119450905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).