(2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

C28H28ClF3N2O6 — CID 175715816

About (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

(2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 175715816) has the molecular formula C28H28ClF3N2O6 and a molecular weight of 580.99 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 175715816
• Molecular Formula: C28H28ClF3N2O6
• Molecular Weight: 580.99 g/mol
• Exact Mass: 580.16
• IUPAC Name: (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
• SMILES: COc1cc(N[C@@H](C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2OC)cc(OCCO)c1
• InChI: InChI=1S/C28H28ClF3N2O6/c1-37-19-12-18(13-20(14-19)40-9-8-35)33-26(21-5-4-17(29)11-24(21)38-2)27(36)34-7-6-16-10-25(39-3)22(15-23(16)34)28(30,31)32/h4-5,10-15,26,33,35H,6-9H2,1-3H3/t26-/m1/s1
• InChIKey: BFQDAUKOPCJOEL-AREMUKBSSA-N
• XLogP: 5.50
• TPSA: 89.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.99
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (CID 175715816) is (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is COc1cc(N[C@@H](C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2OC)cc(OCCO)c1.

What is the InChIKey of (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is BFQDAUKOPCJOEL-AREMUKBSSA-N. The full InChI is InChI=1S/C28H28ClF3N2O6/c1-37-19-12-18(13-20(14-19)40-9-8-35)33-26(21-5-4-17(29)11-24(21)38-2)27(36)34-7-6-16-10-25(39-3)22(15-23(16)34)28(30,31)32/h4-5,10-15,26,33,35H,6-9H2,1-3H3/t26-/m1/s1.

What are the key properties of (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

(2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 580.99 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 175715816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).