N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide

C21H27FN2O — CID 58011431

IUPACN-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCC23CCC(CC2)CC3)c2c(F)cccc21
InChIInChI=1S/C21H27FN2O/c1-14(2)24-12-16(19-17(22)4-3-5-18(19)24)20(25)23-13-21-9-6-15(7-10-21)8-11-21/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,23,25)
InChIKeyCOYQHIFNINNPDR-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.06
Rot. Bonds4

About N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide

N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide (PubChem CID 58011431) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide
PubChem CID58011431
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCC23CCC(CC2)CC3)c2c(F)cccc21
InChIInChI=1S/C21H27FN2O/c1-14(2)24-12-16(19-17(22)4-3-5-18(19)24)20(25)23-13-21-9-6-15(7-10-21)8-11-21/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,23,25)
InChIKeyCOYQHIFNINNPDR-UHFFFAOYSA-N
XLogP5.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
CID 58011359
N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
CID 58011288
N-(1-bicyclo[2.2.2]octanylmethyl)-4-bromo-1-[(3-hydroxyoxetan-3-yl)methyl]indole-3-carboxamide
CID 71078632
CID 89150542
CID 89150542
CID 89150545
CID 89150545
3-(4-fluoro-1-propan-2-ylindol-3-yl)propanoic acid
CID 117119748
N-(1-bicyclo[2.2.2]octanylmethyl)-5-chloro-1-ethylindole-3-carboxamide
CID 58011443
(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
CID 117119687
4-fluoro-3-(methylsulfonylmethyl)-1-propan-2-ylindole
CID 117171819
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
CID 89283438
CID 89283438

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide (CID 58011431) is N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide is CC(C)n1cc(C(=O)NCC23CCC(CC2)CC3)c2c(F)cccc21.
What is the InChIKey of N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide?
The InChIKey is COYQHIFNINNPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-14(2)24-12-16(19-17(22)4-3-5-18(19)24)20(25)23-13-21-9-6-15(7-10-21)8-11-21/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide?
N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 58011431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).