2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide

C15H17FN2O — CID 51339447

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-2-9-17-15(19)11-18-10-3-4-14(18)12-5-7-13(16)8-6-12/h1,5-8,14H,3-4,9-11H2,(H,17,19)
InChIKeyKUQDNOQIOCAUOF-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.71
Rot. Bonds4

About 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide (PubChem CID 51339447) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
PubChem CID51339447
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-2-9-17-15(19)11-18-10-3-4-14(18)12-5-7-13(16)8-6-12/h1,5-8,14H,3-4,9-11H2,(H,17,19)
InChIKeyKUQDNOQIOCAUOF-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51340058
N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 51339474
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55530260
2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 32750927
N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95570795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide (CID 51339447) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide?
The InChIKey is KUQDNOQIOCAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-9-17-15(19)11-18-10-3-4-14(18)12-5-7-13(16)8-6-12/h1,5-8,14H,3-4,9-11H2,(H,17,19).
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide has a molecular weight of 260.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 51339447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).