1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone

C25H19F4NO2 — CID 121484858

IUPAC1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESCOc1cc(F)ccc1C(=O)C(c1ccccc1C)c1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C25H19F4NO2/c1-14-5-3-4-6-17(14)23(24(31)18-9-8-16(26)12-22(18)32-2)20-13-30-21-10-7-15(11-19(20)21)25(27,28)29/h3-13,23,30H,1-2H3
InChIKeyBAKHMRKHPXDXDB-UHFFFAOYSA-N
MW441.42 g/mol
LogP6.66
Rot. Bonds5

About 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone

1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone (PubChem CID 121484858) has the molecular formula C25H19F4NO2 and a molecular weight of 441.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone
PubChem CID121484858
Molecular FormulaC25H19F4NO2
Molecular Weight441.42 g/mol
Exact Mass441.14
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESCOc1cc(F)ccc1C(=O)C(c1ccccc1C)c1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C25H19F4NO2/c1-14-5-3-4-6-17(14)23(24(31)18-9-8-16(26)12-22(18)32-2)20-13-30-21-10-7-15(11-19(20)21)25(27,28)29/h3-13,23,30H,1-2H3
InChIKeyBAKHMRKHPXDXDB-UHFFFAOYSA-N
XLogP6.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.42
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone (CID 121484858) is 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone is COc1cc(F)ccc1C(=O)C(c1ccccc1C)c1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The InChIKey is BAKHMRKHPXDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4NO2/c1-14-5-3-4-6-17(14)23(24(31)18-9-8-16(26)12-22(18)32-2)20-13-30-21-10-7-15(11-19(20)21)25(27,28)29/h3-13,23,30H,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone?
1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone has a molecular weight of 441.42 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-2-(2-methylphenyl)-2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 121484858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).