2-[2-(4-fluorophenyl)-2-adamantyl]acetamide

C18H22FNO — CID 59336934

IUPAC2-[2-(4-fluorophenyl)-2-adamantyl]acetamide
SMILESNC(=O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22FNO/c19-16-3-1-13(2-4-16)18(10-17(20)21)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H2,20,21)
InChIKeyJISSSAVHYKGFHT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.39
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide

2-[2-(4-fluorophenyl)-2-adamantyl]acetamide (PubChem CID 59336934) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-adamantyl]acetamide
PubChem CID59336934
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[2-(4-fluorophenyl)-2-adamantyl]acetamide
SMILESNC(=O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22FNO/c19-16-3-1-13(2-4-16)18(10-17(20)21)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H2,20,21)
InChIKeyJISSSAVHYKGFHT-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide (CID 59336934) is 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide is NC(=O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide?
The InChIKey is JISSSAVHYKGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c19-16-3-1-13(2-4-16)18(10-17(20)21)14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15H,5-10H2,(H2,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide?
2-[2-(4-fluorophenyl)-2-adamantyl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-adamantyl]acetamide is sourced from PubChem (CID 59336934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).