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

C14H16N2O2 — CID 113358590

IUPACN-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2C#N)ccc1O
InChIInChI=1S/C14H16N2O2/c1-9-7-10(5-6-13(9)17)14(18)16-12-4-2-3-11(12)8-15/h5-7,11-12,17H,2-4H2,1H3,(H,16,18)
InChIKeyDVFQYIMLYKGQOS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.12
Rot. Bonds2

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

N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide (PubChem CID 113358590) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
PubChem CID113358590
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2C#N)ccc1O
InChIInChI=1S/C14H16N2O2/c1-9-7-10(5-6-13(9)17)14(18)16-12-4-2-3-11(12)8-15/h5-7,11-12,17H,2-4H2,1H3,(H,16,18)
InChIKeyDVFQYIMLYKGQOS-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

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CID 10364179
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3-tert-butyl-N,N-diethyl-4-hydroxybenzamide
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4-methoxy-3-methyl-N-(2-methylpentan-3-yl)benzamide
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CID 198414
N-(2-aminoethyl)-4-hydroxybenzamide
CID 3018982
2-hydroxy-5-methyl-N-(3-methylbutyl)benzamide
CID 25598220
N-[2-(4-tert-butylphenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 145965966
5-(2,5-Dihydropyrrole-1-carbonyl)-2-hydroxy-3-(trifluoromethyl)benzonitrile
CID 162645875
2-Hydroxy-5-(3-methyl-2,5-dihydropyrrole-1-carbonyl)-3-(trifluoromethyl)benzonitrile
CID 162650779

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide (CID 113358590) is N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC2C#N)ccc1O.
What is the InChIKey of N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is DVFQYIMLYKGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-7-10(5-6-13(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)-4-hydroxy-3-methylbenzamide?
N-(2-cyanocyclopentyl)-4-hydroxy-3-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)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 113358590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).