N-(1-cyanocyclooctyl)-3-fluorobenzamide

C16H19FN2O — CID 60968532

IUPACN-(1-cyanocyclooctyl)-3-fluorobenzamide
SMILESN#CC1(NC(=O)c2cccc(F)c2)CCCCCCC1
InChIInChI=1S/C16H19FN2O/c17-14-8-6-7-13(11-14)15(20)19-16(12-18)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10H2,(H,19,20)
InChIKeyWJAVIBAESNSTGA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.56
Rot. Bonds2

About N-(1-cyanocyclooctyl)-3-fluorobenzamide

N-(1-cyanocyclooctyl)-3-fluorobenzamide (PubChem CID 60968532) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-3-fluorobenzamide
PubChem CID60968532
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-(1-cyanocyclooctyl)-3-fluorobenzamide
SMILESN#CC1(NC(=O)c2cccc(F)c2)CCCCCCC1
InChIInChI=1S/C16H19FN2O/c17-14-8-6-7-13(11-14)15(20)19-16(12-18)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10H2,(H,19,20)
InChIKeyWJAVIBAESNSTGA-UHFFFAOYSA-N
XLogP3.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54904742
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CID 60659200
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-3-fluorobenzamide?
The IUPAC name of N-(1-cyanocyclooctyl)-3-fluorobenzamide (CID 60968532) is N-(1-cyanocyclooctyl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-3-fluorobenzamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-3-fluorobenzamide is N#CC1(NC(=O)c2cccc(F)c2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-3-fluorobenzamide?
The InChIKey is WJAVIBAESNSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-14-8-6-7-13(11-14)15(20)19-16(12-18)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10H2,(H,19,20).
What are the key properties of N-(1-cyanocyclooctyl)-3-fluorobenzamide?
N-(1-cyanocyclooctyl)-3-fluorobenzamide has a molecular weight of 274.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-3-fluorobenzamide is sourced from PubChem (CID 60968532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).