(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

C21H16ClNO3 — CID 7282002

IUPAC(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C21H16ClNO3/c1-23-18-10-9-14(22)11-17(18)21(26,20(23)25)12-19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,26H,12H2,1H3/t21-/m1/s1
InChIKeySPIIAPVZKWRBQI-OAQYLSRUSA-N
MW365.82 g/mol
LogP3.93
Rot. Bonds3

About (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (PubChem CID 7282002) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
PubChem CID7282002
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C21H16ClNO3/c1-23-18-10-9-14(22)11-17(18)21(26,20(23)25)12-19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,26H,12H2,1H3/t21-/m1/s1
InChIKeySPIIAPVZKWRBQI-OAQYLSRUSA-N
XLogP3.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 4522231
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023
5-chloro-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 3811761
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881
1-benzyl-5-bromo-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3587004
3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 152724333
5-fluoro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 151072238
5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 66523007
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1216240
(3S)-5-chloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one
CID 29445600
(3R)-5-chloro-3-hydroxy-1-methyl-3-prop-2-enylindol-2-one
CID 102579900

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The IUPAC name of (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (CID 7282002) is (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is CN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2cc(Cl)ccc21.
What is the InChIKey of (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The InChIKey is SPIIAPVZKWRBQI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16ClNO3/c1-23-18-10-9-14(22)11-17(18)21(26,20(23)25)12-19(24)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,26H,12H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one has a molecular weight of 365.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 7282002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).