3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one

C15H9Br2NO — CID 75299455

IUPAC3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H9Br2NO/c16-10-5-9(6-11(17)8-10)7-13-12-3-1-2-4-14(12)18-15(13)19/h1-8H,(H,18,19)
InChIKeyFBNJAXQAHJDLJR-UHFFFAOYSA-N
MW379.05 g/mol
LogP4.70
Rot. Bonds1

About 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one

3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one (PubChem CID 75299455) has the molecular formula C15H9Br2NO and a molecular weight of 379.05 g/mol. Its IUPAC name is 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
PubChem CID75299455
Molecular FormulaC15H9Br2NO
Molecular Weight379.05 g/mol
Exact Mass376.91
IUPAC Name3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H9Br2NO/c16-10-5-9(6-11(17)8-10)7-13-12-3-1-2-4-14(12)18-15(13)19/h1-8H,(H,18,19)
InChIKeyFBNJAXQAHJDLJR-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1H-indol-2-one
CID 6036100
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
(3Z)-3-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 126126515
(3Z)-3-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 126118242
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one (CID 75299455) is 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one?
The InChIKey is FBNJAXQAHJDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2NO/c16-10-5-9(6-11(17)8-10)7-13-12-3-1-2-4-14(12)18-15(13)19/h1-8H,(H,18,19).
What are the key properties of 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one?
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one has a molecular weight of 379.05 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 75299455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).