N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide

C17H20FNO2 — CID 115298818

IUPACN-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1O
InChIInChI=1S/C17H20FNO2/c18-13-1-2-15(20)14(6-13)16(21)19-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,19,21)
InChIKeyFDOTWINKPFPQFF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.23
Rot. Bonds2

About N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide

N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115298818) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115298818
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1O
InChIInChI=1S/C17H20FNO2/c18-13-1-2-15(20)14(6-13)16(21)19-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,19,21)
InChIKeyFDOTWINKPFPQFF-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
CID 104916407
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
N-[4-(bromomethyl)oxan-4-yl]-5-fluoro-2-hydroxybenzamide
CID 114170584

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide (CID 115298818) is N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1O.
What is the InChIKey of N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is FDOTWINKPFPQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-13-1-2-15(20)14(6-13)16(21)19-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide?
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 289.35 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-(1-adamantyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).