5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one

C16H11ClF3NO2 — CID 122655505

IUPAC5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2c1NC(=O)C2
InChIInChI=1S/C16H11ClF3NO2/c1-8-5-9(6-10-7-13(22)21-15(8)10)14-11(17)3-2-4-12(14)23-16(18,19)20/h2-6H,7H2,1H3,(H,21,22)
InChIKeyAYAICAKEBFTALD-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.71
Rot. Bonds2

About 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one

5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122655505) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID122655505
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2c1NC(=O)C2
InChIInChI=1S/C16H11ClF3NO2/c1-8-5-9(6-10-7-13(22)21-15(8)10)14-11(17)3-2-4-12(14)23-16(18,19)20/h2-6H,7H2,1H3,(H,21,22)
InChIKeyAYAICAKEBFTALD-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one (CID 122655505) is 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is AYAICAKEBFTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c1-8-5-9(6-10-7-13(22)21-15(8)10)14-11(17)3-2-4-12(14)23-16(18,19)20/h2-6H,7H2,1H3,(H,21,22).
What are the key properties of 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 341.72 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(trifluoromethoxy)phenyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).