1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone

C24H26F3NO2 — CID 143575673

IUPAC1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(OCc3ccc(C4CCCCC4)cc3C(F)(F)F)ccc21
InChIInChI=1S/C24H26F3NO2/c1-16(29)28-12-11-19-13-21(9-10-23(19)28)30-15-20-8-7-18(14-22(20)24(25,26)27)17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12,15H2,1H3
InChIKeyAZJCERSWYVUHEK-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.24
Rot. Bonds4

About 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone

1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 143575673) has the molecular formula C24H26F3NO2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone
PubChem CID143575673
Molecular FormulaC24H26F3NO2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(OCc3ccc(C4CCCCC4)cc3C(F)(F)F)ccc21
InChIInChI=1S/C24H26F3NO2/c1-16(29)28-12-11-19-13-21(9-10-23(19)28)30-15-20-8-7-18(14-22(20)24(25,26)27)17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12,15H2,1H3
InChIKeyAZJCERSWYVUHEK-UHFFFAOYSA-N
XLogP6.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-3-(methylamino)-4-oxobutanoic acid
CID 58020835
2-amino-4-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid;hydrochloride
CID 68834394
tert-butyl (2R)-4-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 140545431
tert-butyl 5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindole-1-carboxylate
CID 58020467
3-[[2-[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 58020706
(3R)-4-[5-[[4-cyclopropyl-2-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydroindol-1-yl]-3-(methylamino)-4-oxobutanoic acid
CID 42623866
1-[2-oxo-2-[5-[[4-propan-2-yl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethyl]piperidine-2-carboxylic acid
CID 68834338
(3R)-4-[5-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoic acid
CID 58020654
3-[[2-[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanoic acid;3-[[2-[5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 159427868
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
(3R)-4-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoic acid
CID 58020541
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone (CID 143575673) is 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(OCc3ccc(C4CCCCC4)cc3C(F)(F)F)ccc21.
What is the InChIKey of 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is AZJCERSWYVUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3NO2/c1-16(29)28-12-11-19-13-21(9-10-23(19)28)30-15-20-8-7-18(14-22(20)24(25,26)27)17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12,15H2,1H3.
What are the key properties of 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 417.47 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-cyclohexyl-2-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 143575673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).