3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one

C17H13ClF3NO2 — CID 163926560

IUPAC3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCOc1ccc(Cl)cc1C1C(=O)N(C)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13ClF3NO2/c1-22-13-7-9(17(19,20)21)3-5-11(13)15(16(22)23)12-8-10(18)4-6-14(12)24-2/h3-8,15H,1-2H3
InChIKeyREZIYKMJMMVNBP-UHFFFAOYSA-N
MW355.74 g/mol
LogP4.48
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one

3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one (PubChem CID 163926560) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one
PubChem CID163926560
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCOc1ccc(Cl)cc1C1C(=O)N(C)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13ClF3NO2/c1-22-13-7-9(17(19,20)21)3-5-11(13)15(16(22)23)12-8-10(18)4-6-14(12)24-2/h3-8,15H,1-2H3
InChIKeyREZIYKMJMMVNBP-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one (CID 163926560) is 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one is COc1ccc(Cl)cc1C1C(=O)N(C)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is REZIYKMJMMVNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c1-22-13-7-9(17(19,20)21)3-5-11(13)15(16(22)23)12-8-10(18)4-6-14(12)24-2/h3-8,15H,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one?
3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 355.74 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-methyl-6-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 163926560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).