N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide

C15H20FNO2 — CID 115299187

IUPACN-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
SMILESCC1(C)CCCC(NC(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H20FNO2/c1-15(2)7-3-4-11(9-15)17-14(19)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyUSAKDTGLOSTNRI-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.23
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide

N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115299187) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115299187
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
SMILESCC1(C)CCCC(NC(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H20FNO2/c1-15(2)7-3-4-11(9-15)17-14(19)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyUSAKDTGLOSTNRI-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
CID 107729810
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
CID 96562007
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
N-(3,3-dimethylcyclopentyl)-2,3-difluoropyridine-4-carboxamide
CID 105381670
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114550695
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide (CID 115299187) is N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide is CC1(C)CCCC(NC(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is USAKDTGLOSTNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2)7-3-4-11(9-15)17-14(19)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide?
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 265.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115299187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).