N-(1-cyanocyclopentyl)-4-fluorobenzamide

C13H13FN2O — CID 60660161

IUPACN-(1-cyanocyclopentyl)-4-fluorobenzamide
SMILESN#CC1(NC(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H13FN2O/c14-11-5-3-10(4-6-11)12(17)16-13(9-15)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17)
InChIKeyZEKZAJDJTJPXIU-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.39
Rot. Bonds2

About N-(1-cyanocyclopentyl)-4-fluorobenzamide

N-(1-cyanocyclopentyl)-4-fluorobenzamide (PubChem CID 60660161) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-fluorobenzamide
PubChem CID60660161
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-(1-cyanocyclopentyl)-4-fluorobenzamide
SMILESN#CC1(NC(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H13FN2O/c14-11-5-3-10(4-6-11)12(17)16-13(9-15)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17)
InChIKeyZEKZAJDJTJPXIU-UHFFFAOYSA-N
XLogP2.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878271
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
CID 60665986
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-4-fluorobenzamide
CID 42955044

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-fluorobenzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-fluorobenzamide (CID 60660161) is N-(1-cyanocyclopentyl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-fluorobenzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-fluorobenzamide is N#CC1(NC(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-fluorobenzamide?
The InChIKey is ZEKZAJDJTJPXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-5-3-10(4-6-11)12(17)16-13(9-15)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-4-fluorobenzamide?
N-(1-cyanocyclopentyl)-4-fluorobenzamide has a molecular weight of 232.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-fluorobenzamide is sourced from PubChem (CID 60660161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).