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

C19H18BrNO2 — CID 57258764

IUPAC5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCCOc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1
InChIInChI=1S/C19H18BrNO2/c1-3-10-23-14-6-4-13(5-7-14)11-15-18-12(2)16(20)8-9-17(18)21-19(15)22/h4-9,11H,3,10H2,1-2H3,(H,21,22)
InChIKeyCGDOVXFMFQWESM-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.04
Rot. Bonds4

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

5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 57258764) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID57258764
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
SMILESCCCOc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1
InChIInChI=1S/C19H18BrNO2/c1-3-10-23-14-6-4-13(5-7-14)11-15-18-12(2)16(20)8-9-17(18)21-19(15)22/h4-9,11H,3,10H2,1-2H3,(H,21,22)
InChIKeyCGDOVXFMFQWESM-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.04
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'}

Analyze 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dibromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one
CID 57207669
5-bromo-3-[(4-chlorophenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57307455
5-bromo-3-[(3,5-dimethoxyphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57254091
5-bromo-4-methyl-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 57082735
5-bromo-4-methyl-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one
CID 57225450
5-bromo-3-[(3,4-difluorophenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57131127
5-bromo-4-methyl-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
CID 57037010
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
5-bromo-3-[(3,5-diethyl-1H-pyrrol-2-yl)methylidene]-4-methyl-1H-indol-2-one
CID 69418090
5-bromo-3-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57099549
5-bromo-4-methyl-3-[(5-methylsulfanylthiophen-2-yl)methylidene]-1H-indol-2-one
CID 57303692
5-bromo-3-[(1,4-dimethylpyrrol-3-yl)methylidene]-4-methyl-1H-indol-2-one
CID 57210129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one (CID 57258764) is 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one is CCCOc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1.
What is the InChIKey of 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is CGDOVXFMFQWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-3-10-23-14-6-4-13(5-7-14)11-15-18-12(2)16(20)8-9-17(18)21-19(15)22/h4-9,11H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one?
5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 372.26 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-3-[(4-propoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57258764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).