(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

C98H64Cl12F4N8O22 — CID 159495651

IUPAC(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
SMILESNC(=O)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.NC(=O)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)c(F)c1.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)c(F)c1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1
InChIInChI=1S/2C17H12Cl2N2O4.2C16H9Cl2F2NO3.2C16H11Cl2NO4/c2*18-10-5-6-11(19)14-13(10)17(25,16(24)21-14)7-12(22)8-1-3-9(4-2-8)15(20)23;2*17-8-2-3-9(18)14-13(8)16(24,15(23)21-14)6-12(22)7-1-4-10(19)11(20)5-7;2*17-10-5-6-11(18)14-13(10)16(23,15(22)19-14)7-12(21)8-1-3-9(20)4-2-8/h2*1-6,25H,7H2,(H2,20,23)(H,21,24);2*1-5,24H,6H2,(H,21,23);2*1-6,20,23H,7H2,(H,19,22)/t2*17-;4*16-/m101010/s1
InChIKeyLYTCLJZFZPLFAW-SWBCKQGCSA-N
MW2207.05 g/mol
LogP18.60
Rot. Bonds20

About (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

(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 (PubChem CID 159495651) has the molecular formula C98H64Cl12F4N8O22 and a molecular weight of 2207.05 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159495651
Molecular FormulaC98H64Cl12F4N8O22
Molecular Weight2207.05 g/mol
Exact Mass2200.03
IUPAC Name(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
SMILESNC(=O)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.NC(=O)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)c(F)c1.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)c(F)c1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1
InChIInChI=1S/2C17H12Cl2N2O4.2C16H9Cl2F2NO3.2C16H11Cl2NO4/c2*18-10-5-6-11(19)14-13(10)17(25,16(24)21-14)7-12(22)8-1-3-9(4-2-8)15(20)23;2*17-8-2-3-9(18)14-13(8)16(24,15(23)21-14)6-12(22)7-1-4-10(19)11(20)5-7;2*17-10-5-6-11(18)14-13(10)16(23,15(22)19-14)7-12(21)8-1-3-9(20)4-2-8/h2*1-6,25H,7H2,(H2,20,23)(H,21,24);2*1-5,24H,6H2,(H,21,23);2*1-6,20,23H,7H2,(H,19,22)/t2*17-;4*16-/m101010/s1
InChIKeyLYTCLJZFZPLFAW-SWBCKQGCSA-N
XLogP18.60
TPSA525.04 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002207.05
LogP ≤ 518.60
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Analyze (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 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
(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-[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
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 126667963
(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
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
CID 10041427
4-chloro-7-fluoro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-(4-cyclopropyl-3-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one
CID 159340316
(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 7559976
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
CID 2624761

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is NC(=O)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.NC(=O)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)c(F)c1.O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)c(F)c1.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1.
What is the InChIKey of (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?
The InChIKey is LYTCLJZFZPLFAW-SWBCKQGCSA-N. The full InChI is InChI=1S/2C17H12Cl2N2O4.2C16H9Cl2F2NO3.2C16H11Cl2NO4/c2*18-10-5-6-11(19)14-13(10)17(25,16(24)21-14)7-12(22)8-1-3-9(4-2-8)15(20)23;2*17-8-2-3-9(18)14-13(8)16(24,15(23)21-14)6-12(22)7-1-4-10(19)11(20)5-7;2*17-10-5-6-11(18)14-13(10)16(23,15(22)19-14)7-12(21)8-1-3-9(20)4-2-8/h2*1-6,25H,7H2,(H2,20,23)(H,21,24);2*1-5,24H,6H2,(H,21,23);2*1-6,20,23H,7H2,(H,19,22)/t2*17-;4*16-/m101010/s1.
What are the key properties of (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?
(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 has a molecular weight of 2207.05 g/mol, XLogP of 18.60, 20 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159495651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).