(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C19H16ClNO5 — CID 7275803

IUPAC(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16ClNO5/c1-10-2-4-12(20)16-17(10)21-18(23)19(16,24)9-13(22)11-3-5-14-15(8-11)26-7-6-25-14/h2-5,8,24H,6-7,9H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyJFGOVTFQHBTEQC-LJQANCHMSA-N
MW373.79 g/mol
LogP2.83
Rot. Bonds3

About (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 7275803) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID7275803
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16ClNO5/c1-10-2-4-12(20)16-17(10)21-18(23)19(16,24)9-13(22)11-3-5-14-15(8-11)26-7-6-25-14/h2-5,8,24H,6-7,9H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyJFGOVTFQHBTEQC-LJQANCHMSA-N
XLogP2.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one with MolForge

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Related Compounds

4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 3152131
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1H-indol-2-one
CID 1300298
4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2976345
(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 969721
4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
CID 159814062
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 62538671
(3R)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;4-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide;4-[2-[(3S)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide
CID 159495651
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoic acid
CID 116917934

Frequently Asked Questions

What is the IUPAC name of (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 7275803) is (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is JFGOVTFQHBTEQC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-10-2-4-12(20)16-17(10)21-18(23)19(16,24)9-13(22)11-3-5-14-15(8-11)26-7-6-25-14/h2-5,8,24H,6-7,9H2,1H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 373.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 7275803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).