(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one

C15H8BrCl2N3O — CID 136663417

IUPAC(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N\N=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8BrCl2N3O/c16-9-2-4-13-10(6-9)14(15(22)20-13)21-19-7-8-1-3-11(17)12(18)5-8/h1-7H,(H,20,21,22)
InChIKeyKMJMJPNFFXKNMG-UHFFFAOYSA-N
MW397.06 g/mol
LogP4.53
Rot. Bonds2

About (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 136663417) has the molecular formula C15H8BrCl2N3O and a molecular weight of 397.06 g/mol. Its IUPAC name is (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID136663417
Molecular FormulaC15H8BrCl2N3O
Molecular Weight397.06 g/mol
Exact Mass394.92
IUPAC Name(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N\N=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8BrCl2N3O/c16-9-2-4-13-10(6-9)14(15(22)20-13)21-19-7-8-1-3-11(17)12(18)5-8/h1-7H,(H,20,21,22)
InChIKeyKMJMJPNFFXKNMG-UHFFFAOYSA-N
XLogP4.53
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.06
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-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

(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
CID 176730765
(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135857822
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
(3Z)-5-bromo-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135615422
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
5-bromo-3-[(E)-[2-(difluoromethoxy)-5-nitrophenyl]methylidenehydrazinylidene]-1H-indol-2-one
CID 172917695
3-[(3,5-dibromo-4-hydroxyphenyl)methylidenehydrazinylidene]-5-(hydroxymethyl)-1H-indol-2-one
CID 137058132
(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
CID 135703568
methyl 2-[2-bromo-4-[(Z)-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetate
CID 136915793
(Z)-1-(3,4-dichlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]methanimine
CID 6108687
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137

Frequently Asked Questions

What is the IUPAC name of (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 136663417) is (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N\N=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is KMJMJPNFFXKNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2N3O/c16-9-2-4-13-10(6-9)14(15(22)20-13)21-19-7-8-1-3-11(17)12(18)5-8/h1-7H,(H,20,21,22).
What are the key properties of (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 397.06 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 136663417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).