N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide

C19H20F6N2O — CID 71663153

IUPACN-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H20F6N2O/c20-18(21,22)11-8-14(19(23,24)25)13-10-16(27-15(13)9-11)17(28)26-12-6-4-2-1-3-5-7-12/h8-10,12,27H,1-7H2,(H,26,28)
InChIKeyUVFOGXPYYVVVFN-UHFFFAOYSA-N
MW406.37 g/mol
LogP6.05
Rot. Bonds2

About N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide

N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 71663153) has the molecular formula C19H20F6N2O and a molecular weight of 406.37 g/mol. Its IUPAC name is N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID71663153
Molecular FormulaC19H20F6N2O
Molecular Weight406.37 g/mol
Exact Mass406.15
IUPAC NameN-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H20F6N2O/c20-18(21,22)11-8-14(19(23,24)25)13-10-16(27-15(13)9-11)17(28)26-12-6-4-2-1-3-5-7-12/h8-10,12,27H,1-7H2,(H,26,28)
InChIKeyUVFOGXPYYVVVFN-UHFFFAOYSA-N
XLogP6.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.37
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 171354096
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715362
N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
4,6-difluoro-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide
CID 163201818
N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
CID 172901048
N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide
CID 162340861

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide (CID 71663153) is N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide is O=C(NC1CCCCCCC1)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is UVFOGXPYYVVVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N2O/c20-18(21,22)11-8-14(19(23,24)25)13-10-16(27-15(13)9-11)17(28)26-12-6-4-2-1-3-5-7-12/h8-10,12,27H,1-7H2,(H,26,28).
What are the key properties of N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide?
N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71663153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).