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

C15H9BrClNO — CID 4098591

IUPAC5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClNO/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(17)5-2-9/h1-8H,(H,18,19)
InChIKeyXURITLBBXWDNPY-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.60
Rot. Bonds1

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

5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one (PubChem CID 4098591) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
PubChem CID4098591
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H9BrClNO/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(17)5-2-9/h1-8H,(H,18,19)
InChIKeyXURITLBBXWDNPY-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)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
(3Z)-5-bromo-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 46504696
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 56989643
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3Z)-3-[(4-chlorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 134104720
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
CID 7947107
5-(2-chloroethyl)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 57299624
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
3-[(4-tert-butylphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4605716
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
4-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile
CID 2338594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one (CID 4098591) is 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1=Cc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is XURITLBBXWDNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(17)5-2-9/h1-8H,(H,18,19).
What are the key properties of 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
5-bromo-3-[(4-chlorophenyl)methylidene]-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 5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 4098591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).