N-(1-cyanocyclohexyl)-4-hydroxybenzamide

C14H16N2O2 — CID 60717123

IUPACN-(1-cyanocyclohexyl)-4-hydroxybenzamide
SMILESN#CC1(NC(=O)c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C14H16N2O2/c15-10-14(8-2-1-3-9-14)16-13(18)11-4-6-12(17)7-5-11/h4-7,17H,1-3,8-9H2,(H,16,18)
InChIKeyPONAEAXIMLCZGU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.35
Rot. Bonds2

About N-(1-cyanocyclohexyl)-4-hydroxybenzamide

N-(1-cyanocyclohexyl)-4-hydroxybenzamide (PubChem CID 60717123) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-4-hydroxybenzamide
PubChem CID60717123
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyanocyclohexyl)-4-hydroxybenzamide
SMILESN#CC1(NC(=O)c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C14H16N2O2/c15-10-14(8-2-1-3-9-14)16-13(18)11-4-6-12(17)7-5-11/h4-7,17H,1-3,8-9H2,(H,16,18)
InChIKeyPONAEAXIMLCZGU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104938860
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N-(1-cyanocyclobutyl)-4-iodobenzamide
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N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
CID 60665986
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
N-(1-cyanocyclohexyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 62113316

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-4-hydroxybenzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-4-hydroxybenzamide (CID 60717123) is N-(1-cyanocyclohexyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-4-hydroxybenzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-4-hydroxybenzamide is N#CC1(NC(=O)c2ccc(O)cc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-4-hydroxybenzamide?
The InChIKey is PONAEAXIMLCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-14(8-2-1-3-9-14)16-13(18)11-4-6-12(17)7-5-11/h4-7,17H,1-3,8-9H2,(H,16,18).
What are the key properties of N-(1-cyanocyclohexyl)-4-hydroxybenzamide?
N-(1-cyanocyclohexyl)-4-hydroxybenzamide has a molecular weight of 244.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-4-hydroxybenzamide is sourced from PubChem (CID 60717123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).