N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide

C16H17F3N2O — CID 171354096

IUPACN-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)11-7-6-10-8-14(21-13(10)9-11)15(22)20-12-4-2-1-3-5-12/h6-9,12,21H,1-5H2,(H,20,22)
InChIKeyIMQJHNWOTYKVHX-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.25
Rot. Bonds2

About N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide

N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 171354096) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID171354096
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)11-7-6-10-8-14(21-13(10)9-11)15(22)20-12-4-2-1-3-5-12/h6-9,12,21H,1-5H2,(H,20,22)
InChIKeyIMQJHNWOTYKVHX-UHFFFAOYSA-N
XLogP4.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-cyclooctyl-4,6-bis(trifluoromethyl)-1H-indole-2-carboxamide
CID 71663153
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone
CID 166889878
N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
CID 172901048
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
CID 44524829
cis-(1R,3S)-3-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677418
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide (CID 171354096) is N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide is O=C(NC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is IMQJHNWOTYKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c17-16(18,19)11-7-6-10-8-14(21-13(10)9-11)15(22)20-12-4-2-1-3-5-12/h6-9,12,21H,1-5H2,(H,20,22).
What are the key properties of N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide?
N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 171354096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).