7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one

C116H104Cl3F7N10O13S — CID 173108793

IUPAC7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one
SMILESCc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCCC1.Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.O=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)c1nccs1.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)N1CCOCC1.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)n1ccnc1
InChIInChI=1S/C22H24ClNO2.C21H22ClNO2.C20H20ClNO2.C18H11F3N2O2S.C18H16F2N2O3.C17H11F2N3O2/c1-14-8-13-18-20(19(14)23)24-21(26)22(18,15-6-4-2-3-5-7-15)16-9-11-17(25)12-10-16;1-13-7-12-17-19(18(13)22)23-20(25)21(17,14-5-3-2-4-6-14)15-8-10-16(24)11-9-15;1-12-6-11-16-18(17(12)21)22-19(24)20(16,13-4-2-3-5-13)14-7-9-15(23)10-8-14;19-18(20,21)13-3-1-2-12-14(13)23-15(25)17(12,16-22-8-9-26-16)10-4-6-11(24)7-5-10;19-14-6-5-13-16(15(14)20)21-17(24)18(13,22-7-9-25-10-8-22)11-1-3-12(23)4-2-11;18-13-6-5-12-15(14(13)19)21-16(24)17(12,22-8-7-20-9-22)10-1-3-11(23)4-2-10/h8-13,15,25H,2-7H2,1H3,(H,24,26);7-12,14,24H,2-6H2,1H3,(H,23,25);6-11,13,23H,2-5H2,1H3,(H,22,24);1-9,24H,(H,23,25);1-6,23H,7-10H2,(H,21,24);1-9,23H,(H,21,24)
InChIKeyKWSOJBKYZAGOHL-UHFFFAOYSA-N
MW2117.58 g/mol
LogP24.48
Rot. Bonds12

About 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one

7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one (PubChem CID 173108793) has the molecular formula C116H104Cl3F7N10O13S and a molecular weight of 2117.58 g/mol. Its IUPAC name is 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one
PubChem CID173108793
Molecular FormulaC116H104Cl3F7N10O13S
Molecular Weight2117.58 g/mol
Exact Mass2114.65
IUPAC Name7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one
SMILESCc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCCC1.Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.O=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)c1nccs1.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)N1CCOCC1.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)n1ccnc1
InChIInChI=1S/C22H24ClNO2.C21H22ClNO2.C20H20ClNO2.C18H11F3N2O2S.C18H16F2N2O3.C17H11F2N3O2/c1-14-8-13-18-20(19(14)23)24-21(26)22(18,15-6-4-2-3-5-7-15)16-9-11-17(25)12-10-16;1-13-7-12-17-19(18(13)22)23-20(25)21(17,14-5-3-2-4-6-14)15-8-10-16(24)11-9-15;1-12-6-11-16-18(17(12)21)22-19(24)20(16,13-4-2-3-5-13)14-7-9-15(23)10-8-14;19-18(20,21)13-3-1-2-12-14(13)23-15(25)17(12,16-22-8-9-26-16)10-4-6-11(24)7-5-10;19-14-6-5-13-16(15(14)20)21-17(24)18(13,22-7-9-25-10-8-22)11-1-3-12(23)4-2-11;18-13-6-5-12-15(14(13)19)21-16(24)17(12,22-8-7-20-9-22)10-1-3-11(23)4-2-10/h8-13,15,25H,2-7H2,1H3,(H,24,26);7-12,14,24H,2-6H2,1H3,(H,23,25);6-11,13,23H,2-5H2,1H3,(H,22,24);1-9,24H,(H,23,25);1-6,23H,7-10H2,(H,21,24);1-9,23H,(H,21,24)
InChIKeyKWSOJBKYZAGOHL-UHFFFAOYSA-N
XLogP24.48
TPSA339.16 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.58
LogP ≤ 524.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one with MolForge

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Related Compounds

3-(4-hydroxyphenyl)-3-piperidin-4-yl-7-(trifluoromethyl)-1H-indol-2-one
CID 178162006
3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 25061846
3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one;3-(cyclopentylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 160951688
7-bromo-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;3-cyclohexyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 159857966
7-bromo-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one
CID 25062385
3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;3-cyclopentyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one;6-fluoro-3-(4-hydroxyphenyl)-7-methyl-3-pentyl-1H-indol-2-one
CID 159355444
3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
CID 25062115
3-(2-cyclopropylethynyl)-3-(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 172554055
3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25061074
[4-[2-oxo-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-7-(trifluoromethyl)-1H-indol-3-yl]phenyl] acetate
CID 178162018
[4-(3-cycloheptyl-7-methyl-2-oxo-1H-indol-3-yl)phenyl] 2-(dimethylamino)acetate
CID 46917343
(3S)-3-(4-hydroxyphenyl)-3-[1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-7-(trifluoromethyl)-1H-indol-2-one
CID 166727499

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one (CID 173108793) is 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one is Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCC1.Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCCC1.Cc1ccc2c(c1Cl)NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.O=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)c1nccs1.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)N1CCOCC1.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)n1ccnc1.
What is the InChIKey of 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is KWSOJBKYZAGOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2.C21H22ClNO2.C20H20ClNO2.C18H11F3N2O2S.C18H16F2N2O3.C17H11F2N3O2/c1-14-8-13-18-20(19(14)23)24-21(26)22(18,15-6-4-2-3-5-7-15)16-9-11-17(25)12-10-16;1-13-7-12-17-19(18(13)22)23-20(25)21(17,14-5-3-2-4-6-14)15-8-10-16(24)11-9-15;1-12-6-11-16-18(17(12)21)22-19(24)20(16,13-4-2-3-5-13)14-7-9-15(23)10-8-14;19-18(20,21)13-3-1-2-12-14(13)23-15(25)17(12,16-22-8-9-26-16)10-4-6-11(24)7-5-10;19-14-6-5-13-16(15(14)20)21-17(24)18(13,22-7-9-25-10-8-22)11-1-3-12(23)4-2-11;18-13-6-5-12-15(14(13)19)21-16(24)17(12,22-8-7-20-9-22)10-1-3-11(23)4-2-10/h8-13,15,25H,2-7H2,1H3,(H,24,26);7-12,14,24H,2-6H2,1H3,(H,23,25);6-11,13,23H,2-5H2,1H3,(H,22,24);1-9,24H,(H,23,25);1-6,23H,7-10H2,(H,21,24);1-9,23H,(H,21,24).
What are the key properties of 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one?
7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 2117.58 g/mol, XLogP of 24.48, 12 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclohexyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;7-chloro-3-cyclopentyl-3-(4-hydroxyphenyl)-6-methyl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-imidazol-1-yl-1H-indol-2-one;6,7-difluoro-3-(4-hydroxyphenyl)-3-morpholin-4-yl-1H-indol-2-one;3-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 173108793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).