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

C94H86Cl9F3N6O17 — CID 159340316

IUPAC4-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
SMILESCN(C)C12CCC(C(=O)CC3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC12CCC(C(=O)CC3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COc1ccc(C(=O)CC2(O)C(=O)Nc3c(F)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)c(F)c1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F
InChIInChI=1S/C20H24Cl2N2O3.2C19H14Cl2FNO3.C19H21Cl2NO4.C17H13ClFNO4/c1-24(2)19-8-5-18(6-9-19,7-10-19)14(25)11-20(27)15-12(21)3-4-13(22)16(15)23-17(20)26;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)10-3-4-11(9-1-2-9)14(22)7-10;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)11-4-3-10(7-14(11)22)9-1-2-9;1-26-18-7-4-17(5-8-18,6-9-18)13(23)10-19(25)14-11(20)2-3-12(21)15(14)22-16(19)24;1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h3-4,27H,5-11H2,1-2H3,(H,23,26);2*3-7,9,26H,1-2,8H2,(H,23,25);2-3,25H,4-10H2,1H3,(H,22,24);2-7,23H,8H2,1H3,(H,20,22)
InChIKeyLGBCLZLGNVGITP-UHFFFAOYSA-N
MW1947.82 g/mol
LogP19.32
Rot. Bonds20

About 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

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 (PubChem CID 159340316) has the molecular formula C94H86Cl9F3N6O17 and a molecular weight of 1947.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159340316
Molecular FormulaC94H86Cl9F3N6O17
Molecular Weight1947.82 g/mol
Exact Mass1942.32
IUPAC Name4-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
SMILESCN(C)C12CCC(C(=O)CC3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC12CCC(C(=O)CC3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COc1ccc(C(=O)CC2(O)C(=O)Nc3c(F)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)c(F)c1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F
InChIInChI=1S/C20H24Cl2N2O3.2C19H14Cl2FNO3.C19H21Cl2NO4.C17H13ClFNO4/c1-24(2)19-8-5-18(6-9-19,7-10-19)14(25)11-20(27)15-12(21)3-4-13(22)16(15)23-17(20)26;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)10-3-4-11(9-1-2-9)14(22)7-10;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)11-4-3-10(7-14(11)22)9-1-2-9;1-26-18-7-4-17(5-8-18,6-9-18)13(23)10-19(25)14-11(20)2-3-12(21)15(14)22-16(19)24;1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h3-4,27H,5-11H2,1-2H3,(H,23,26);2*3-7,9,26H,1-2,8H2,(H,23,25);2-3,25H,4-10H2,1H3,(H,22,24);2-7,23H,8H2,1H3,(H,20,22)
InChIKeyLGBCLZLGNVGITP-UHFFFAOYSA-N
XLogP19.32
TPSA353.70 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001947.82
LogP ≤ 519.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C12CCC(C(=O)CC3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC12CCC(C(=O)CC3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COc1ccc(C(=O)CC2(O)C(=O)Nc3c(F)ccc(Cl)c32)cc1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)c(F)c1.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F.
What is the InChIKey of 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?
The InChIKey is LGBCLZLGNVGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3.2C19H14Cl2FNO3.C19H21Cl2NO4.C17H13ClFNO4/c1-24(2)19-8-5-18(6-9-19,7-10-19)14(25)11-20(27)15-12(21)3-4-13(22)16(15)23-17(20)26;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)10-3-4-11(9-1-2-9)14(22)7-10;20-12-5-6-13(21)17-16(12)19(26,18(25)23-17)8-15(24)11-4-3-10(7-14(11)22)9-1-2-9;1-26-18-7-4-17(5-8-18,6-9-18)13(23)10-19(25)14-11(20)2-3-12(21)15(14)22-16(19)24;1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h3-4,27H,5-11H2,1-2H3,(H,23,26);2*3-7,9,26H,1-2,8H2,(H,23,25);2-3,25H,4-10H2,1H3,(H,22,24);2-7,23H,8H2,1H3,(H,20,22).
What are the key properties of 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?
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 has a molecular weight of 1947.82 g/mol, XLogP of 19.32, 20 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159340316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).