(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one

C15H8BrClFNO — CID 7947107

IUPAC(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(Br)cc1F
InChIInChI=1S/C15H8BrClFNO/c16-9-2-1-8(13(18)6-9)5-12-11-7-10(17)3-4-14(11)19-15(12)20/h1-7H,(H,19,20)/b12-5+
InChIKeyCXRMYOXWXCVKIO-LFYBBSHMSA-N
MW352.59 g/mol
LogP4.73
Rot. Bonds1

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

(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one (PubChem CID 7947107) has the molecular formula C15H8BrClFNO and a molecular weight of 352.59 g/mol. Its IUPAC name is (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
PubChem CID7947107
Molecular FormulaC15H8BrClFNO
Molecular Weight352.59 g/mol
Exact Mass350.95
IUPAC Name(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(Br)cc1F
InChIInChI=1S/C15H8BrClFNO/c16-9-2-1-8(13(18)6-9)5-12-11-7-10(17)3-4-14(11)19-15(12)20/h1-7H,(H,19,20)/b12-5+
InChIKeyCXRMYOXWXCVKIO-LFYBBSHMSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.73
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

(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
3-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4815875
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244
3-[(2,4-dichlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57120788
(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
CID 2688434
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
(3E)-5-chloro-3-(5,6-didehydroazulen-1-ylmethylidene)-1H-indol-2-one
CID 163976065
5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 3252421
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one (CID 7947107) is (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(Br)cc1F.
What is the InChIKey of (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one?
The InChIKey is CXRMYOXWXCVKIO-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H8BrClFNO/c16-9-2-1-8(13(18)6-9)5-12-11-7-10(17)3-4-14(11)19-15(12)20/h1-7H,(H,19,20)/b12-5+.
What are the key properties of (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one?
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one has a molecular weight of 352.59 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one is sourced from PubChem (CID 7947107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).