(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one

C18H15BrClNO3 — CID 1300415

IUPAC(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one
SMILESCc1cc(Br)cc2c1N(C)C(=O)[C@@]2(O)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15BrClNO3/c1-10-7-12(19)8-14-16(10)21(2)17(23)18(14,24)9-15(22)11-3-5-13(20)6-4-11/h3-8,24H,9H2,1-2H3/t18-/m1/s1
InChIKeyZTRFNZVLPKRRKQ-GOSISDBHSA-N
MW408.68 g/mol
LogP3.85
Rot. Bonds3

About (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one

(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one (PubChem CID 1300415) has the molecular formula C18H15BrClNO3 and a molecular weight of 408.68 g/mol. Its IUPAC name is (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one
PubChem CID1300415
Molecular FormulaC18H15BrClNO3
Molecular Weight408.68 g/mol
Exact Mass406.99
IUPAC Name(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one
SMILESCc1cc(Br)cc2c1N(C)C(=O)[C@@]2(O)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15BrClNO3/c1-10-7-12(19)8-14-16(10)21(2)17(23)18(14,24)9-15(22)11-3-5-13(20)6-4-11/h3-8,24H,9H2,1-2H3/t18-/m1/s1
InChIKeyZTRFNZVLPKRRKQ-GOSISDBHSA-N
XLogP3.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023
5-bromo-1-[(4-bromophenyl)methyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077848
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 17077809
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-3-hydroxy-1-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 17138995
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 17077782
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 5308874
7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 150804057
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216206
(3S)-5-chloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 7312891

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one?
The IUPAC name of (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one (CID 1300415) is (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one?
The canonical SMILES for (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one is Cc1cc(Br)cc2c1N(C)C(=O)[C@@]2(O)CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one?
The InChIKey is ZTRFNZVLPKRRKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15BrClNO3/c1-10-7-12(19)8-14-16(10)21(2)17(23)18(14,24)9-15(22)11-3-5-13(20)6-4-11/h3-8,24H,9H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one?
(3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one has a molecular weight of 408.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,7-dimethylindol-2-one is sourced from PubChem (CID 1300415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).