(3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one

C94H92Cl10F2N6O17 — CID 158333341

About (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one

(3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 158333341) has the molecular formula C94H92Cl10F2N6O17 and a molecular weight of 1970.32 g/mol. Its IUPAC name is (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

• Compound Name: (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one
• PubChem CID: 158333341
• Molecular Formula: C94H92Cl10F2N6O17
• Molecular Weight: 1970.32 g/mol
• Exact Mass: 1964.34
• IUPAC Name: (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one
• SMILES: CN(C)C12CCC(C(=O)C[C@@]3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC12CCC(C(=O)C[C@@]3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC1CCC(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(C2CC2)cc1F.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F
• InChI: InChI=1S/C20H24Cl2N2O3.2C19H14Cl2FNO3.C19H21Cl2NO4.C17H19Cl2NO4/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;2*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);6-7,9-10,23H,2-5,8H2,1H3,(H,20,22)/t18?,19?,20-;2*19-;17?,18?,19-;9?,10?,17-/m01000/s1
• InChIKey: GQGVQQWJZTWTRE-NJPHHRLLSA-N
• XLogP: 19.72
• TPSA: 353.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1970.32
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one?

The IUPAC name of (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one (CID 158333341) is (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one.

What is the SMILES notation for (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one?

The canonical SMILES for (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one is CN(C)C12CCC(C(=O)C[C@@]3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC12CCC(C(=O)C[C@@]3(O)C(=O)Nc4c(Cl)ccc(Cl)c43)(CC1)CC2.COC1CCC(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(C2CC2)cc1F.O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C2CC2)cc1F.

What is the InChIKey of (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one?

The InChIKey is GQGVQQWJZTWTRE-NJPHHRLLSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3.2C19H14Cl2FNO3.C19H21Cl2NO4.C17H19Cl2NO4/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;2*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);6-7,9-10,23H,2-5,8H2,1H3,(H,20,22)/t18?,19?,20-;2*19-;17?,18?,19-;9?,10?,17-/m01000/s1.

What are the key properties of (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one?

(3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 1970.32 g/mol, XLogP of 19.72, 20 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 158333341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).