3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one

C15H9BrClNO — CID 3925589

IUPAC3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1=Cc1cccc(Br)c1
InChIInChI=1S/C15H9BrClNO/c16-10-3-1-2-9(6-10)7-13-12-5-4-11(17)8-14(12)18-15(13)19/h1-8H,(H,18,19)
InChIKeyVJNYURUXGLKCGV-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.60
Rot. Bonds1

About 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one

3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one (PubChem CID 3925589) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
PubChem CID3925589
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1=Cc1cccc(Br)c1
InChIInChI=1S/C15H9BrClNO/c16-10-3-1-2-9(6-10)7-13-12-5-4-11(17)8-14(12)18-15(13)19/h1-8H,(H,18,19)
InChIKeyVJNYURUXGLKCGV-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.60
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-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 71237885
3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
CID 71245897
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
6-chloro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245952
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one?
The IUPAC name of 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one (CID 3925589) is 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one.
What is the SMILES notation for 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one?
The canonical SMILES for 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1=Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one?
The InChIKey is VJNYURUXGLKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-10-3-1-2-9(6-10)7-13-12-5-4-11(17)8-14(12)18-15(13)19/h1-8H,(H,18,19).
What are the key properties of 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one?
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one has a molecular weight of 334.60 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one is sourced from PubChem (CID 3925589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).