(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one

C15H8BrClFNO — CID 58286328

IUPAC(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2/C1=C\c1cccc(Cl)c1F
InChIInChI=1S/C15H8BrClFNO/c16-9-4-5-10-11(15(20)19-13(10)7-9)6-8-2-1-3-12(17)14(8)18/h1-7H,(H,19,20)/b11-6+
InChIKeyQLJCHHNMBLESOJ-IZZDOVSWSA-N
MW352.59 g/mol
LogP4.73
Rot. Bonds1

About (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one

(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 58286328) has the molecular formula C15H8BrClFNO and a molecular weight of 352.59 g/mol. Its IUPAC name is (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one
PubChem CID58286328
Molecular FormulaC15H8BrClFNO
Molecular Weight352.59 g/mol
Exact Mass350.95
IUPAC Name(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2/C1=C\c1cccc(Cl)c1F
InChIInChI=1S/C15H8BrClFNO/c16-9-4-5-10-11(15(20)19-13(10)7-9)6-8-2-1-3-12(17)14(8)18/h1-7H,(H,19,20)/b11-6+
InChIKeyQLJCHHNMBLESOJ-IZZDOVSWSA-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

(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one
CID 86662471
(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one
CID 58286327
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
(3Z)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
CID 86662474
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
CID 7947107
6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one
CID 74943437
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571
6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-c]pyridin-2-one;6-chloro-1,3-dihydropyrrolo[3,2-c]pyridin-2-one;3-chloro-2-fluorobenzaldehyde
CID 157472580
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955225

Frequently Asked Questions

What is the IUPAC name of (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one (CID 58286328) is (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2cc(Br)ccc2/C1=C\c1cccc(Cl)c1F.
What is the InChIKey of (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is QLJCHHNMBLESOJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H8BrClFNO/c16-9-4-5-10-11(15(20)19-13(10)7-9)6-8-2-1-3-12(17)14(8)18/h1-7H,(H,19,20)/b11-6+.
What are the key properties of (3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one?
(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-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)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 58286328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).