1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone

C24H30FNO — CID 91885143

IUPAC1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone
SMILESO=C(c1cn(CCCCCF)c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H30FNO/c25-8-4-1-5-9-26-16-21(20-6-2-3-7-22(20)26)23(27)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2
InChIKeyWBLLMFXPGHZFFP-UHFFFAOYSA-N
MW367.51 g/mol
LogP6.18
Rot. Bonds7

About 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone

1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone (PubChem CID 91885143) has the molecular formula C24H30FNO and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone
PubChem CID91885143
Molecular FormulaC24H30FNO
Molecular Weight367.51 g/mol
Exact Mass367.23
IUPAC Name1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone
SMILESO=C(c1cn(CCCCCF)c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H30FNO/c25-8-4-1-5-9-26-16-21(20-6-2-3-7-22(20)26)23(27)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2
InChIKeyWBLLMFXPGHZFFP-UHFFFAOYSA-N
XLogP6.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone?
The IUPAC name of 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone (CID 91885143) is 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone.
What is the SMILES notation for 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone?
The canonical SMILES for 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone is O=C(c1cn(CCCCCF)c2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone?
The InChIKey is WBLLMFXPGHZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO/c25-8-4-1-5-9-26-16-21(20-6-2-3-7-22(20)26)23(27)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2.
What are the key properties of 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone?
1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone has a molecular weight of 367.51 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[1-(5-fluoropentyl)indol-3-yl]methanone is sourced from PubChem (CID 91885143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).