N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide

C22H27F3N2O — CID 58011288

IUPACN-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
SMILESCCCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C22H27F3N2O/c1-2-12-27-13-16(19-17(22(23,24)25)4-3-5-18(19)27)20(28)26-14-21-9-6-15(7-10-21)8-11-21/h3-5,13,15H,2,6-12,14H2,1H3,(H,26,28)
InChIKeyITGRYHFKJNTTIC-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.77
Rot. Bonds5

About N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide

N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide (PubChem CID 58011288) has the molecular formula C22H27F3N2O and a molecular weight of 392.47 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
PubChem CID58011288
Molecular FormulaC22H27F3N2O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC NameN-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
SMILESCCCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C22H27F3N2O/c1-2-12-27-13-16(19-17(22(23,24)25)4-3-5-18(19)27)20(28)26-14-21-9-6-15(7-10-21)8-11-21/h3-5,13,15H,2,6-12,14H2,1H3,(H,26,28)
InChIKeyITGRYHFKJNTTIC-UHFFFAOYSA-N
XLogP5.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.77
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-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
CID 145106803
N-(1-bicyclo[2.2.2]octanylmethyl)-4-fluoro-1-propan-2-ylindole-3-carboxamide
CID 58011431
CID 89150545
CID 89150545
CID 89150542
CID 89150542
N-(1-bicyclo[2.2.2]octanylmethyl)-4-bromo-1-[(3-hydroxyoxetan-3-yl)methyl]indole-3-carboxamide
CID 71078632
1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
CID 117119559
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
N-(1-bicyclo[2.2.2]octanylmethyl)-5-chloro-1-ethylindole-3-carboxamide
CID 58011443
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011456

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide (CID 58011288) is N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide is CCCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C(F)(F)F)cccc21.
What is the InChIKey of N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide?
The InChIKey is ITGRYHFKJNTTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O/c1-2-12-27-13-16(19-17(22(23,24)25)4-3-5-18(19)27)20(28)26-14-21-9-6-15(7-10-21)8-11-21/h3-5,13,15H,2,6-12,14H2,1H3,(H,26,28).
What are the key properties of N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide?
N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 5.77, 5 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)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide is sourced from PubChem (CID 58011288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).