N-(4-fluoro-1-adamantyl)acetamide

C12H18FNO — CID 58192799

IUPACN-(4-fluoro-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(F)C(C3)C2
InChIInChI=1S/C12H18FNO/c1-7(15)14-12-4-8-2-9(5-12)11(13)10(3-8)6-12/h8-11H,2-6H2,1H3,(H,14,15)
InChIKeyUJVQUJSSJHAKFB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.04
Rot. Bonds1

About N-(4-fluoro-1-adamantyl)acetamide

N-(4-fluoro-1-adamantyl)acetamide (PubChem CID 58192799) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(4-fluoro-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-1-adamantyl)acetamide
PubChem CID58192799
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(4-fluoro-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)C(F)C(C3)C2
InChIInChI=1S/C12H18FNO/c1-7(15)14-12-4-8-2-9(5-12)11(13)10(3-8)6-12/h8-11H,2-6H2,1H3,(H,14,15)
InChIKeyUJVQUJSSJHAKFB-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-adamantyl)acetamide?
The IUPAC name of N-(4-fluoro-1-adamantyl)acetamide (CID 58192799) is N-(4-fluoro-1-adamantyl)acetamide.
What is the SMILES notation for N-(4-fluoro-1-adamantyl)acetamide?
The canonical SMILES for N-(4-fluoro-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C1)C(F)C(C3)C2.
What is the InChIKey of N-(4-fluoro-1-adamantyl)acetamide?
The InChIKey is UJVQUJSSJHAKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-7(15)14-12-4-8-2-9(5-12)11(13)10(3-8)6-12/h8-11H,2-6H2,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-1-adamantyl)acetamide?
N-(4-fluoro-1-adamantyl)acetamide has a molecular weight of 211.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-adamantyl)acetamide is sourced from PubChem (CID 58192799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).