N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide

C14H15FN2O — CID 82130674

IUPACN-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1(C#N)CCCC1
InChIInChI=1S/C14H15FN2O/c1-17(14(10-16)8-2-3-9-14)13(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3
InChIKeyKHLIHXFLKKKVFS-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.73
Rot. Bonds2

About N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide

N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide (PubChem CID 82130674) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
PubChem CID82130674
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1(C#N)CCCC1
InChIInChI=1S/C14H15FN2O/c1-17(14(10-16)8-2-3-9-14)13(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3
InChIKeyKHLIHXFLKKKVFS-UHFFFAOYSA-N
XLogP2.73
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-cyanocyclohexyl)-4-fluoro-N-methylbenzamide
CID 107951776
N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide
CID 47445665
N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 36876492
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
N-(1-cyanocyclobutyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47793802
(2S)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpropanamide
CID 9431281
N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
4-chloro-N-(1-ethynylcyclohexyl)-N-methylbenzamide
CID 71391064
N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51435462
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
CID 54088114
2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide
CID 107988089

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide (CID 82130674) is N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)C1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide?
The InChIKey is KHLIHXFLKKKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17(14(10-16)8-2-3-9-14)13(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3.
What are the key properties of N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide?
N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide has a molecular weight of 246.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 82130674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).