2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide

C14H18FNO2 — CID 62508927

IUPAC2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C14H18FNO2/c1-9-2-7-13(15)12(8-9)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18)
InChIKeyXRHDGFNLKOOUNR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.17
Rot. Bonds2

About 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide

2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide (PubChem CID 62508927) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
PubChem CID62508927
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C14H18FNO2/c1-9-2-7-13(15)12(8-9)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18)
InChIKeyXRHDGFNLKOOUNR-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide (CID 62508927) is 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide?
The InChIKey is XRHDGFNLKOOUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-2-7-13(15)12(8-9)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide?
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide is sourced from PubChem (CID 62508927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).