1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone

C19H22FNO — CID 71559526

IUPAC1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2cc(F)ccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
InChIKeyUPGRPJQVXCCOIK-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.93
Rot. Bonds1

About 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone

1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 71559526) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID71559526
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2cc(F)ccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
InChIKeyUPGRPJQVXCCOIK-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone (CID 71559526) is 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone is O=C(N1CCc2cc(F)ccc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is UPGRPJQVXCCOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2.
What are the key properties of 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 299.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(5-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 71559526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).