2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone

C18H15F4NO3 — CID 142476991

IUPAC2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(F)ccc1CC(=O)N1CCc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C18H15F4NO3/c1-25-16-9-13(19)4-2-12(16)8-17(24)23-7-6-11-3-5-14(10-15(11)23)26-18(20,21)22/h2-5,9-10H,6-8H2,1H3
InChIKeyQPLMLQDXBLWXMC-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.86
Rot. Bonds4

About 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone

2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 142476991) has the molecular formula C18H15F4NO3 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
PubChem CID142476991
Molecular FormulaC18H15F4NO3
Molecular Weight369.31 g/mol
Exact Mass369.10
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(F)ccc1CC(=O)N1CCc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C18H15F4NO3/c1-25-16-9-13(19)4-2-12(16)8-17(24)23-7-6-11-3-5-14(10-15(11)23)26-18(20,21)22/h2-5,9-10H,6-8H2,1H3
InChIKeyQPLMLQDXBLWXMC-UHFFFAOYSA-N
XLogP3.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
CID 170306537
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84556507
2-(3-methylpiperazin-1-yl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 78079147
tert-butyl 4-[3-[[1-(4-fluoro-2-methoxyphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoate
CID 146653959
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone (CID 142476991) is 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone is COc1cc(F)ccc1CC(=O)N1CCc2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is QPLMLQDXBLWXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO3/c1-25-16-9-13(19)4-2-12(16)8-17(24)23-7-6-11-3-5-14(10-15(11)23)26-18(20,21)22/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone?
2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 369.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 142476991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).