N-(1-adamantyl)-4-fluoro-2-methylbenzamide

C18H22FNO — CID 115745078

IUPACN-(1-adamantyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22FNO/c1-11-4-15(19)2-3-16(11)17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21)
InChIKeyRGDFYVBACYYHCD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.83
Rot. Bonds2

About N-(1-adamantyl)-4-fluoro-2-methylbenzamide

N-(1-adamantyl)-4-fluoro-2-methylbenzamide (PubChem CID 115745078) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(1-adamantyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-fluoro-2-methylbenzamide
PubChem CID115745078
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-(1-adamantyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22FNO/c1-11-4-15(19)2-3-16(11)17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21)
InChIKeyRGDFYVBACYYHCD-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
CID 103820451
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(1-adamantyl)-4-fluoro-2-methylbenzamide (CID 115745078) is N-(1-adamantyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(1-adamantyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-fluoro-2-methylbenzamide?
The InChIKey is RGDFYVBACYYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-11-4-15(19)2-3-16(11)17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantyl)-4-fluoro-2-methylbenzamide?
N-(1-adamantyl)-4-fluoro-2-methylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).