[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C29H26F5NO2 — CID 134221844

About [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 134221844) has the molecular formula C29H26F5NO2 and a molecular weight of 515.52 g/mol. Its IUPAC name is [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
• PubChem CID: 134221844
• Molecular Formula: C29H26F5NO2
• Molecular Weight: 515.52 g/mol
• Exact Mass: 515.19
• IUPAC Name: [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
• SMILES: CCc1c(C)cc2c(c1-c1cc(F)c3c(c1C)CCCO3)CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1
• InChI: InChI=1S/C29H26F5NO2/c1-4-18-15(2)12-25-20(26(18)21-14-24(31)27-19(16(21)3)6-5-11-37-27)9-10-35(25)28(36)17-7-8-22(23(30)13-17)29(32,33)34/h7-8,12-14H,4-6,9-11H2,1-3H3
• InChIKey: XYUXMIHQYIQWFZ-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.52
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?

The IUPAC name of [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 134221844) is [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?

The canonical SMILES for [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is CCc1c(C)cc2c(c1-c1cc(F)c3c(c1C)CCCO3)CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1.

What is the InChIKey of [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?

The InChIKey is XYUXMIHQYIQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F5NO2/c1-4-18-15(2)12-25-20(26(18)21-14-24(31)27-19(16(21)3)6-5-11-37-27)9-10-35(25)28(36)17-7-8-22(23(30)13-17)29(32,33)34/h7-8,12-14H,4-6,9-11H2,1-3H3.

What are the key properties of [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?

[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 515.52 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134221844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).