5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one

C87H91Cl2F2N5O9 — CID 173272137

IUPAC5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
SMILESCC(C)c1cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc(C(C)C)c1OCCN1CCOCC1.CC1(C)CCc2cc(C=C3C(=O)Nc4ccc(F)cc43)ccc2O1.COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(F)ccc32)cc1C(C)C.COc1c(C)cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1C
InChIInChI=1S/C27H33ClN2O3.C22H24FNO2.C20H18FNO2.C18H16ClNO2/c1-17(2)21-13-19(15-24-23-16-20(28)5-6-25(23)29-27(24)31)14-22(18(3)4)26(21)33-12-9-30-7-10-32-11-8-30;1-12(2)17-8-14(9-18(13(3)4)21(17)26-5)10-19-16-7-6-15(23)11-20(16)24-22(19)25;1-20(2)8-7-13-9-12(3-6-18(13)24-20)10-16-15-11-14(21)4-5-17(15)22-19(16)23;1-10-6-12(7-11(2)17(10)22-3)8-15-14-9-13(19)4-5-16(14)20-18(15)21/h5-6,13-18H,7-12H2,1-4H3,(H,29,31);6-13H,1-5H3,(H,24,25);3-6,9-11H,7-8H2,1-2H3,(H,22,23);4-9H,1-3H3,(H,20,21)
InChIKeyFHZMZMHMNLDVNC-UHFFFAOYSA-N
MW1459.61 g/mol
LogP20.24
Rot. Bonds14

About 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one

5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one (PubChem CID 173272137) has the molecular formula C87H91Cl2F2N5O9 and a molecular weight of 1459.61 g/mol. Its IUPAC name is 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
PubChem CID173272137
Molecular FormulaC87H91Cl2F2N5O9
Molecular Weight1459.61 g/mol
Exact Mass1457.62
IUPAC Name5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
SMILESCC(C)c1cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc(C(C)C)c1OCCN1CCOCC1.CC1(C)CCc2cc(C=C3C(=O)Nc4ccc(F)cc43)ccc2O1.COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(F)ccc32)cc1C(C)C.COc1c(C)cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1C
InChIInChI=1S/C27H33ClN2O3.C22H24FNO2.C20H18FNO2.C18H16ClNO2/c1-17(2)21-13-19(15-24-23-16-20(28)5-6-25(23)29-27(24)31)14-22(18(3)4)26(21)33-12-9-30-7-10-32-11-8-30;1-12(2)17-8-14(9-18(13(3)4)21(17)26-5)10-19-16-7-6-15(23)11-20(16)24-22(19)25;1-20(2)8-7-13-9-12(3-6-18(13)24-20)10-16-15-11-14(21)4-5-17(15)22-19(16)23;1-10-6-12(7-11(2)17(10)22-3)8-15-14-9-13(19)4-5-16(14)20-18(15)21/h5-6,13-18H,7-12H2,1-4H3,(H,29,31);6-13H,1-5H3,(H,24,25);3-6,9-11H,7-8H2,1-2H3,(H,22,23);4-9H,1-3H3,(H,20,21)
InChIKeyFHZMZMHMNLDVNC-UHFFFAOYSA-N
XLogP20.24
TPSA165.79 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.61
LogP ≤ 520.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one (CID 173272137) is 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one is CC(C)c1cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc(C(C)C)c1OCCN1CCOCC1.CC1(C)CCc2cc(C=C3C(=O)Nc4ccc(F)cc43)ccc2O1.COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(F)ccc32)cc1C(C)C.COc1c(C)cc(C=C2C(=O)Nc3ccc(Cl)cc32)cc1C.
What is the InChIKey of 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is FHZMZMHMNLDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN2O3.C22H24FNO2.C20H18FNO2.C18H16ClNO2/c1-17(2)21-13-19(15-24-23-16-20(28)5-6-25(23)29-27(24)31)14-22(18(3)4)26(21)33-12-9-30-7-10-32-11-8-30;1-12(2)17-8-14(9-18(13(3)4)21(17)26-5)10-19-16-7-6-15(23)11-20(16)24-22(19)25;1-20(2)8-7-13-9-12(3-6-18(13)24-20)10-16-15-11-14(21)4-5-17(15)22-19(16)23;1-10-6-12(7-11(2)17(10)22-3)8-15-14-9-13(19)4-5-16(14)20-18(15)21/h5-6,13-18H,7-12H2,1-4H3,(H,29,31);6-13H,1-5H3,(H,24,25);3-6,9-11H,7-8H2,1-2H3,(H,22,23);4-9H,1-3H3,(H,20,21).
What are the key properties of 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one?
5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 1459.61 g/mol, XLogP of 20.24, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-methoxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one;5-chloro-3-[[4-(2-morpholin-4-ylethoxy)-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-5-fluoro-1H-indol-2-one;6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 173272137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).