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

C13H17FN2O — CID 47019472

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-15-13(17)9-16-8-2-3-12(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyBOWSPIXNWBRYLR-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.71
Rot. Bonds3

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

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 47019472) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID47019472
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c1-15-13(17)9-16-8-2-3-12(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyBOWSPIXNWBRYLR-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 51339447
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 51339474
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51340058
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124952288
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 60505498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide (CID 47019472) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is BOWSPIXNWBRYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-15-13(17)9-16-8-2-3-12(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 236.29 g/mol, XLogP of 1.71, 3 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-methylacetamide is sourced from PubChem (CID 47019472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).