N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide

C24H31FN2O2 — CID 154709469

IUPACN-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCC(O)CF)c2ccccc12
InChIInChI=1S/C24H31FN2O2/c25-14-19(28)4-3-7-27-15-21(20-5-1-2-6-22(20)27)23(29)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-2,5-6,15-19,28H,3-4,7-14H2,(H,26,29)
InChIKeyAFQPBHCRNZNXNV-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.45
Rot. Bonds7

About N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide

N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide (PubChem CID 154709469) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide
PubChem CID154709469
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCC(O)CF)c2ccccc12
InChIInChI=1S/C24H31FN2O2/c25-14-19(28)4-3-7-27-15-21(20-5-1-2-6-22(20)27)23(29)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-2,5-6,15-19,28H,3-4,7-14H2,(H,26,29)
InChIKeyAFQPBHCRNZNXNV-UHFFFAOYSA-N
XLogP4.45
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide
CID 118544036
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide
CID 137346242
N-(1-adamantyl)-4-oxo-1-pentyl-6-(2-phenylethynyl)quinoline-3-carboxamide
CID 46915339
N-(1-adamantyl)-6-(benzenesulfinyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 46914723
N-(1-adamantyl)-4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carboxamide
CID 25034605
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350
5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid
CID 124518899
N-(1-adamantyl)-6-methyl-4-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 71453477
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 71175664
5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
CID 86268508
(2S)-2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-methylbutanoic acid
CID 155791758

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide (CID 154709469) is N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCC(O)CF)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide?
The InChIKey is AFQPBHCRNZNXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c25-14-19(28)4-3-7-27-15-21(20-5-1-2-6-22(20)27)23(29)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-2,5-6,15-19,28H,3-4,7-14H2,(H,26,29).
What are the key properties of N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide?
N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide is sourced from PubChem (CID 154709469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).