3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

C15H9ClF3NO2 — CID 11131248

IUPAC3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cccc(Cl)c1
InChIInChI=1S/C15H9ClF3NO2/c16-10-3-1-2-8(6-10)14(22)11-5-4-9(15(17,18)19)7-12(11)20-13(14)21/h1-7,22H,(H,20,21)
InChIKeyORTNBVDGUJUFLD-UHFFFAOYSA-N
MW327.69 g/mol
LogP3.55
Rot. Bonds1

About 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 11131248) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID11131248
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cccc(Cl)c1
InChIInChI=1S/C15H9ClF3NO2/c16-10-3-1-2-8(6-10)14(22)11-5-4-9(15(17,18)19)7-12(11)20-13(14)21/h1-7,22H,(H,20,21)
InChIKeyORTNBVDGUJUFLD-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-phenyl-1,3-dihydroindol-2-one
CID 15806
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
5-Chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 11836404
SM-130686 free base
CID 9804743
6-Carbamoyl-4-(trifluoromethyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-3-(2-chlorophenyl)indoline-2-one
CID 9890863
3-Hydroxy-1-phenyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 3289664
1-Acetyl-5-chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 49769448
(R)-3-(3-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3-hydroxy-2-oxo-4-trifluoromethyl-2,3-dihydro-1H-indole-6-carboxylic acid amide
CID 44390860
(R)-3-(4-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3-hydroxy-2-oxo-4-trifluoromethyl-2,3-dihydro-1H-indole-6-carboxylic acid amide
CID 44390869
3-(4-fluoro-3-methylphenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 3830750
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 326411
5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one
CID 141465848

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (CID 11131248) is 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is ORTNBVDGUJUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-10-3-1-2-8(6-10)14(22)11-5-4-9(15(17,18)19)7-12(11)20-13(14)21/h1-7,22H,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 327.69 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 11131248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).