N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide

C20H24F4N2O2 — CID 145106803

IUPACN-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
SMILESCC1(F)CCC(CNC(=O)c2cn(CCO)c3cccc(C(F)(F)F)c23)CC1
InChIInChI=1S/C20H24F4N2O2/c1-19(21)7-5-13(6-8-19)11-25-18(28)14-12-26(9-10-27)16-4-2-3-15(17(14)16)20(22,23)24/h2-4,12-13,27H,5-11H2,1H3,(H,25,28)
InChIKeyRWOXQJSQUZLTRW-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.30
Rot. Bonds5

About N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide

N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide (PubChem CID 145106803) has the molecular formula C20H24F4N2O2 and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
PubChem CID145106803
Molecular FormulaC20H24F4N2O2
Molecular Weight400.42 g/mol
Exact Mass400.18
IUPAC NameN-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
SMILESCC1(F)CCC(CNC(=O)c2cn(CCO)c3cccc(C(F)(F)F)c23)CC1
InChIInChI=1S/C20H24F4N2O2/c1-19(21)7-5-13(6-8-19)11-25-18(28)14-12-26(9-10-27)16-4-2-3-15(17(14)16)20(22,23)24/h2-4,12-13,27H,5-11H2,1H3,(H,25,28)
InChIKeyRWOXQJSQUZLTRW-UHFFFAOYSA-N
XLogP4.30
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
CID 58011288
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011456
4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011335
1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
CID 117119559
6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011385
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
4-bromo-N-(cycloheptylmethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077090
2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 90650438
N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
CID 58011359
4-bromo-N-(cycloheptylmethyl)-1-(oxetan-3-ylmethyl)indole-3-carboxamide
CID 71077064
N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 48861592

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide?
The IUPAC name of N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide (CID 145106803) is N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide is CC1(F)CCC(CNC(=O)c2cn(CCO)c3cccc(C(F)(F)F)c23)CC1.
What is the InChIKey of N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide?
The InChIKey is RWOXQJSQUZLTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N2O2/c1-19(21)7-5-13(6-8-19)11-25-18(28)14-12-26(9-10-27)16-4-2-3-15(17(14)16)20(22,23)24/h2-4,12-13,27H,5-11H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide?
N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide is sourced from PubChem (CID 145106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).