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

C18H22FN3O — CID 51339474

IUPACN-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC2c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H22FN3O/c19-15-7-5-14(6-8-15)16-4-3-11-22(16)12-17(23)21-18(13-20)9-1-2-10-18/h5-8,16H,1-4,9-12H2,(H,21,23)
InChIKeyWOHLXXGMNJSPDH-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.92
Rot. Bonds4

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

N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide (PubChem CID 51339474) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
PubChem CID51339474
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC2c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H22FN3O/c19-15-7-5-14(6-8-15)16-4-3-11-22(16)12-17(23)21-18(13-20)9-1-2-10-18/h5-8,16H,1-4,9-12H2,(H,21,23)
InChIKeyWOHLXXGMNJSPDH-UHFFFAOYSA-N
XLogP2.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129346017
N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9403043
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
CID 94632936
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62015517
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 51339447
N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8833510
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
N-(1-cyanocyclohexyl)-2-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]acetamide
CID 154755655
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55530260
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide (CID 51339474) is N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCCC2c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is WOHLXXGMNJSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-15-7-5-14(6-8-15)16-4-3-11-22(16)12-17(23)21-18(13-20)9-1-2-10-18/h5-8,16H,1-4,9-12H2,(H,21,23).
What are the key properties of N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 51339474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).