2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide

C20H24FN3O — CID 2810249

IUPAC2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide
SMILESCn1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c2c(F)cccc21
InChIInChI=1S/C20H24FN3O/c1-24-16-4-2-3-15(21)18(16)19(23-24)22-17(25)11-20-8-12-5-13(9-20)7-14(6-12)10-20/h2-4,12-14H,5-11H2,1H3,(H,22,23,25)
InChIKeyLMTBZDCPAWBCHW-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.26
Rot. Bonds3

About 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide

2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide (PubChem CID 2810249) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide
PubChem CID2810249
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide
SMILESCn1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c2c(F)cccc21
InChIInChI=1S/C20H24FN3O/c1-24-16-4-2-3-15(21)18(16)19(23-24)22-17(25)11-20-8-12-5-13(9-20)7-14(6-12)10-20/h2-4,12-14H,5-11H2,1H3,(H,22,23,25)
InChIKeyLMTBZDCPAWBCHW-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide (CID 2810249) is 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide is Cn1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c2c(F)cccc21.
What is the InChIKey of 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide?
The InChIKey is LMTBZDCPAWBCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-24-16-4-2-3-15(21)18(16)19(23-24)22-17(25)11-20-8-12-5-13(9-20)7-14(6-12)10-20/h2-4,12-14H,5-11H2,1H3,(H,22,23,25).
What are the key properties of 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide?
2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-fluoro-1-methylindazol-3-yl)acetamide is sourced from PubChem (CID 2810249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).