N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide

C24H31FN2O — CID 57404059

IUPACN-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)
InChIKeyCOYHGVCHRRXECF-UHFFFAOYSA-N
MW382.52 g/mol
LogP5.48
Rot. Bonds7

About N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide

N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide (PubChem CID 57404059) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
PubChem CID57404059
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC NameN-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)
InChIKeyCOYHGVCHRRXECF-UHFFFAOYSA-N
XLogP5.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
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 N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide (CID 57404059) is N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCCCF)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide?
The InChIKey is COYHGVCHRRXECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28).
What are the key properties of N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide?
N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide has a molecular weight of 382.52 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide is sourced from PubChem (CID 57404059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).