5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one

C19H17Br2NO2 — CID 57207669

IUPAC5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCCOc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)cc1
InChIInChI=1S/C19H17Br2NO2/c1-3-8-24-13-6-4-12(5-7-13)9-14-17-11(2)15(20)10-16(21)18(17)22-19(14)23/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
InChIKeyAVOMNEQTOSWNCB-UHFFFAOYSA-N
MW451.16 g/mol
LogP5.80
Rot. Bonds4

About 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one

5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 57207669) has the molecular formula C19H17Br2NO2 and a molecular weight of 451.16 g/mol. Its IUPAC name is 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID57207669
Molecular FormulaC19H17Br2NO2
Molecular Weight451.16 g/mol
Exact Mass448.96
IUPAC Name5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCCOc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)cc1
InChIInChI=1S/C19H17Br2NO2/c1-3-8-24-13-6-4-12(5-7-13)9-14-17-11(2)15(20)10-16(21)18(17)22-19(14)23/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
InChIKeyAVOMNEQTOSWNCB-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.16
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
CID 57258764
5,7-dibromo-3-[(3-bromophenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57185404
5,7-dibromo-4-methyl-3-[(3-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 57179639
5,7-dibromo-3-[(2-ethoxyphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57090983
5,7-dibromo-3-[(3-chlorophenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57305680
5,7-dibromo-3-[(3-tert-butyl-4-methoxyphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 70000459
5,7-dibromo-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methyl-1H-indol-2-one
CID 57297089
5,7-dibromo-3-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57021361
5,7-dibromo-3-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]-1H-indol-2-one
CID 57132554
5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-4-methyl-1H-indol-2-one
CID 57307489
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
2-[(5,7-dibromo-4-methyl-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile
CID 57289725

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one (CID 57207669) is 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one is CCCOc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)cc1.
What is the InChIKey of 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is AVOMNEQTOSWNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO2/c1-3-8-24-13-6-4-12(5-7-13)9-14-17-11(2)15(20)10-16(21)18(17)22-19(14)23/h4-7,9-10H,3,8H2,1-2H3,(H,22,23).
What are the key properties of 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 451.16 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).