3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one

C16H11ClF3NO2 — CID 10132132

IUPAC3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCOc1ccc(Cl)cc1C1C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H11ClF3NO2/c1-23-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21-15(14)22/h2-7,14H,1H3,(H,21,22)
InChIKeyRRSDYHBCICNUFM-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.45
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one

3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 10132132) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID10132132
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCOc1ccc(Cl)cc1C1C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H11ClF3NO2/c1-23-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21-15(14)22/h2-7,14H,1H3,(H,21,22)
InChIKeyRRSDYHBCICNUFM-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 10132132) is 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one is COc1ccc(Cl)cc1C1C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is RRSDYHBCICNUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c1-23-13-5-3-9(17)7-11(13)14-10-4-2-8(16(18,19)20)6-12(10)21-15(14)22/h2-7,14H,1H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one?
3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 341.72 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 10132132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).