(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one

C15H9BrClN3O — CID 176730765

IUPAC(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClN3O/c16-10-3-1-9(2-4-10)8-18-20-14-12-7-11(17)5-6-13(12)19-15(14)21/h1-8H,(H,19,20,21)/b18-8+
InChIKeyJEFVFKJBGCQEDF-QGMBQPNBSA-N
MW362.61 g/mol
LogP3.88
Rot. Bonds2

About (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one

(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one (PubChem CID 176730765) has the molecular formula C15H9BrClN3O and a molecular weight of 362.61 g/mol. Its IUPAC name is (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
PubChem CID176730765
Molecular FormulaC15H9BrClN3O
Molecular Weight362.61 g/mol
Exact Mass360.96
IUPAC Name(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClN3O/c16-10-3-1-9(2-4-10)8-18-20-14-12-7-11(17)5-6-13(12)19-15(14)21/h1-8H,(H,19,20,21)/b18-8+
InChIKeyJEFVFKJBGCQEDF-QGMBQPNBSA-N
XLogP3.88
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 53.88
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'}

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Related Compounds

(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 136663417
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(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
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(3,5-dibromo-4-hydroxyphenyl)methylidenehydrazinylidene]-5-(hydroxymethyl)-1H-indol-2-one
CID 137058132
(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 162395350
5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one
CID 135467452
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
(3Z)-5,7-dichloro-3-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
CID 135556870

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one (CID 176730765) is (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=N/N=C/c1ccc(Br)cc1.
What is the InChIKey of (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one?
The InChIKey is JEFVFKJBGCQEDF-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H9BrClN3O/c16-10-3-1-9(2-4-10)8-18-20-14-12-7-11(17)5-6-13(12)19-15(14)21/h1-8H,(H,19,20,21)/b18-8+.
What are the key properties of (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one?
(3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one has a molecular weight of 362.61 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-chloro-1H-indol-2-one is sourced from PubChem (CID 176730765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).