(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one

C17H13BrClNO3 — CID 1259023

IUPAC(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H13BrClNO3/c1-20-14-7-6-12(19)8-13(14)17(23,16(20)22)9-15(21)10-2-4-11(18)5-3-10/h2-8,23H,9H2,1H3/t17-/m1/s1
InChIKeyTXTAZUZGYRIEGV-QGZVFWFLSA-N
MW394.65 g/mol
LogP3.54
Rot. Bonds3

About (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one (PubChem CID 1259023) has the molecular formula C17H13BrClNO3 and a molecular weight of 394.65 g/mol. Its IUPAC name is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
PubChem CID1259023
Molecular FormulaC17H13BrClNO3
Molecular Weight394.65 g/mol
Exact Mass392.98
IUPAC Name(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H13BrClNO3/c1-20-14-7-6-12(19)8-13(14)17(23,16(20)22)9-15(21)10-2-4-11(18)5-3-10/h2-8,23H,9H2,1H3/t17-/m1/s1
InChIKeyTXTAZUZGYRIEGV-QGZVFWFLSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881
5-bromo-3-hydroxy-1-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 66523028
(3S)-5-bromo-3-hydroxy-1-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 95731348
5-bromo-1-[(4-bromophenyl)methyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077848
(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one
CID 1300415
(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 7282002
5-bromo-1-[(4-bromophenyl)methyl]-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077849
5-chloro-1-ethyl-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2993004
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 5308874
5-bromo-3-hydroxy-1-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 17138995
5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2925747
5-chloro-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 3811761

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one?
The IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one (CID 1259023) is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one is CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21.
What is the InChIKey of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one?
The InChIKey is TXTAZUZGYRIEGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13BrClNO3/c1-20-14-7-6-12(19)8-13(14)17(23,16(20)22)9-15(21)10-2-4-11(18)5-3-10/h2-8,23H,9H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one?
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one has a molecular weight of 394.65 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 1259023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).