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

C16H11ClF3NO3 — CID 10155290

IUPAC(3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1ccc(Cl)cc1[C@]1(O)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)15(23)10-4-2-8(16(18,19)20)6-12(10)21-14(15)22/h2-7,23H,1H3,(H,21,22)/t15-/m0/s1
InChIKeyLMNFTYDGFXTVRA-HNNXBMFYSA-N
MW357.72 g/mol
LogP3.56
Rot. Bonds2

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

(3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10155290) has the molecular formula C16H11ClF3NO3 and a molecular weight of 357.72 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID10155290
Molecular FormulaC16H11ClF3NO3
Molecular Weight357.72 g/mol
Exact Mass357.04
IUPAC Name(3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1ccc(Cl)cc1[C@]1(O)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)15(23)10-4-2-8(16(18,19)20)6-12(10)21-14(15)22/h2-7,23H,1H3,(H,21,22)/t15-/m0/s1
InChIKeyLMNFTYDGFXTVRA-HNNXBMFYSA-N
XLogP3.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bms 204352
CID 214350
Maxipost
CID 656757
3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 5297649
3-hydroxy-3-(2-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5297651
3-(5-Chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)indolin-2-one
CID 9885204
1-(4-Chlorobenzyl)-3-hydroxy-3-(2-methoxyphenyl)indolin-2-one
CID 54584552
3-Hydroxy-3-(2-hydroxy-5-chlorophenyl)-6-(trifluoromethyl)indoline-2-one
CID 9906124
3-(2-Hydroxy-5-chlorophenyl)-6-(trifluoromethyl)indoline-2-one
CID 9927408
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-4-(trifluoromethyl)-1H-indol-2-one
CID 9946063
3-Hydroxy-3-(2-methoxy-5-chlorophenyl)-6-(trifluoromethyl)indoline-2-one
CID 9968692
3-(2-Methoxy-5-chlorophenyl)-6-(trifluoromethyl)indoline-2-one
CID 10132132
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
CID 10132223

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (CID 10155290) is (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is COc1ccc(Cl)cc1[C@]1(O)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is LMNFTYDGFXTVRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3/c1-24-13-5-3-9(17)7-11(13)15(23)10-4-2-8(16(18,19)20)6-12(10)21-14(15)22/h2-7,23H,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
(3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 357.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10155290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).