2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C18H21F3N2O2 — CID 86985838

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NC3CCCC(C(F)(F)F)C3)c2c1
InChIInChI=1S/C18H21F3N2O2/c1-25-14-5-6-16-15(9-14)11(10-22-16)7-17(24)23-13-4-2-3-12(8-13)18(19,20)21/h5-6,9-10,12-13,22H,2-4,7-8H2,1H3,(H,23,24)
InChIKeyIYVDDFQHQFWFFJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.96
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 86985838) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID86985838
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NC3CCCC(C(F)(F)F)C3)c2c1
InChIInChI=1S/C18H21F3N2O2/c1-25-14-5-6-16-15(9-14)11(10-22-16)7-17(24)23-13-4-2-3-12(8-13)18(19,20)21/h5-6,9-10,12-13,22H,2-4,7-8H2,1H3,(H,23,24)
InChIKeyIYVDDFQHQFWFFJ-UHFFFAOYSA-N
XLogP3.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 113209618
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55590613
4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55922858
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 86985838) is 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is COc1ccc2[nH]cc(CC(=O)NC3CCCC(C(F)(F)F)C3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is IYVDDFQHQFWFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-25-14-5-6-16-15(9-14)11(10-22-16)7-17(24)23-13-4-2-3-12(8-13)18(19,20)21/h5-6,9-10,12-13,22H,2-4,7-8H2,1H3,(H,23,24).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 354.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 86985838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).