N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide

C17H20FNO2 — CID 104916407

IUPACN-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1c(O)cccc1F
InChIInChI=1S/C17H20FNO2/c18-13-2-1-3-14(20)15(13)16(21)19-17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,20H,4-9H2,(H,19,21)
InChIKeyBDVYQKMAXFAHNX-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.23
Rot. Bonds2

About N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide

N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104916407) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
PubChem CID104916407
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-(1-adamantyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1c(O)cccc1F
InChIInChI=1S/C17H20FNO2/c18-13-2-1-3-14(20)15(13)16(21)19-17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,20H,4-9H2,(H,19,21)
InChIKeyBDVYQKMAXFAHNX-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)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
CID 107016999
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N-(1-adamantyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261645
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-4-(aminomethyl)benzamide;hydrochloride
CID 119261555
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide (CID 104916407) is N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1c(O)cccc1F.
What is the InChIKey of N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is BDVYQKMAXFAHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-13-2-1-3-14(20)15(13)16(21)19-17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,20H,4-9H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-fluoro-6-hydroxybenzamide?
N-(1-adamantyl)-2-fluoro-6-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)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104916407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).