N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide

C14H16N2O2 — CID 62962345

IUPACN-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2C#N)cc1O
InChIInChI=1S/C14H16N2O2/c1-9-5-6-10(7-13(9)17)14(18)16-12-4-2-3-11(12)8-15/h5-7,11-12,17H,2-4H2,1H3,(H,16,18)
InChIKeyYPJRGQUASDLTHS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.12
Rot. Bonds2

About N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide

N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide (PubChem CID 62962345) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
PubChem CID62962345
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2C#N)cc1O
InChIInChI=1S/C14H16N2O2/c1-9-5-6-10(7-13(9)17)14(18)16-12-4-2-3-11(12)8-15/h5-7,11-12,17H,2-4H2,1H3,(H,16,18)
InChIKeyYPJRGQUASDLTHS-UHFFFAOYSA-N
XLogP2.12
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
5-chloro-N-(2-cyanocyclopentyl)-2-hydroxybenzamide
CID 62961255
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
CID 62963070
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide (CID 62962345) is N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC2C#N)cc1O.
What is the InChIKey of N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is YPJRGQUASDLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-6-10(7-13(9)17)14(18)16-12-4-2-3-11(12)8-15/h5-7,11-12,17H,2-4H2,1H3,(H,16,18).
What are the key properties of N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide?
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 244.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 62962345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).