N-(1-adamantyl)-4-fluorobenzamide

C17H20FNO — CID 2834614

IUPACN-(1-adamantyl)-4-fluorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c18-15-3-1-14(2-4-15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyYHHVYTFJKJJFGH-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.52
Rot. Bonds2

About N-(1-adamantyl)-4-fluorobenzamide

N-(1-adamantyl)-4-fluorobenzamide (PubChem CID 2834614) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(1-adamantyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-fluorobenzamide
PubChem CID2834614
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-(1-adamantyl)-4-fluorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c18-15-3-1-14(2-4-15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyYHHVYTFJKJJFGH-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-fluorobenzamide?
The IUPAC name of N-(1-adamantyl)-4-fluorobenzamide (CID 2834614) is N-(1-adamantyl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-fluorobenzamide?
The canonical SMILES for N-(1-adamantyl)-4-fluorobenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1.
What is the InChIKey of N-(1-adamantyl)-4-fluorobenzamide?
The InChIKey is YHHVYTFJKJJFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-3-1-14(2-4-15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-4-fluorobenzamide?
N-(1-adamantyl)-4-fluorobenzamide has a molecular weight of 273.35 g/mol, XLogP of 3.52, 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-fluorobenzamide is sourced from PubChem (CID 2834614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).