(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one

C17H13ClF3NO2 — CID 178002990

IUPAC(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCC[C@@]1(c2cc(Cl)ccc2O)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13ClF3NO2/c1-2-16(12-8-10(18)4-6-14(12)23)11-5-3-9(17(19,20)21)7-13(11)22-15(16)24/h3-8,23H,2H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyVHDKAEQOHCABPT-MRXNPFEDSA-N
MW355.74 g/mol
LogP4.71
Rot. Bonds2

About (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one

(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 178002990) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID178002990
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCC[C@@]1(c2cc(Cl)ccc2O)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13ClF3NO2/c1-2-16(12-8-10(18)4-6-14(12)23)11-5-3-9(17(19,20)21)7-13(11)22-15(16)24/h3-8,23H,2H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyVHDKAEQOHCABPT-MRXNPFEDSA-N
XLogP4.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one (CID 178002990) is (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one is CC[C@@]1(c2cc(Cl)ccc2O)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is VHDKAEQOHCABPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c1-2-16(12-8-10(18)4-6-14(12)23)11-5-3-9(17(19,20)21)7-13(11)22-15(16)24/h3-8,23H,2H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one?
(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 355.74 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 178002990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).