(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one

C15H8Br2FNO — CID 26366641

IUPAC(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2/C1=C/c1ccccc1F
InChIInChI=1S/C15H8Br2FNO/c16-9-6-10-11(5-8-3-1-2-4-13(8)18)15(20)19-14(10)12(17)7-9/h1-7H,(H,19,20)/b11-5-
InChIKeyQZZAMSURXBEQJE-WZUFQYTHSA-N
MW397.04 g/mol
LogP4.84
Rot. Bonds1

About (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one

(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 26366641) has the molecular formula C15H8Br2FNO and a molecular weight of 397.04 g/mol. Its IUPAC name is (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one
PubChem CID26366641
Molecular FormulaC15H8Br2FNO
Molecular Weight397.04 g/mol
Exact Mass394.90
IUPAC Name(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2/C1=C/c1ccccc1F
InChIInChI=1S/C15H8Br2FNO/c16-9-6-10-11(5-8-3-1-2-4-13(8)18)15(20)19-14(10)12(17)7-9/h1-7H,(H,19,20)/b11-5-
InChIKeyQZZAMSURXBEQJE-WZUFQYTHSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.04
LogP ≤ 54.84
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

5,7-dibromo-3-[(2,4,6-trifluorophenyl)methylidene]-1H-indol-2-one
CID 57096944
5,7-dibromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57043328
5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one
CID 57206232
5,7-dibromo-3-[(2,3,4-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 57016715
5,7-dibromo-3-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylidene]-1H-indol-2-one
CID 57154129
5,7-dibromo-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 57117105
5,7-dibromo-3-(1H-imidazol-2-ylmethylidene)-1H-indol-2-one
CID 57220889
5,7-dibromo-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
CID 57053180
(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955415
5,7-dibromo-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 57229658
(3E)-3-[(2,5-dihydroxyphenyl)methylidene]-7-fluoro-1H-indol-2-one
CID 143061978
5,7-dibromo-3-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 56984207

Frequently Asked Questions

What is the IUPAC name of (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one (CID 26366641) is (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2c(Br)cc(Br)cc2/C1=C/c1ccccc1F.
What is the InChIKey of (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is QZZAMSURXBEQJE-WZUFQYTHSA-N. The full InChI is InChI=1S/C15H8Br2FNO/c16-9-6-10-11(5-8-3-1-2-4-13(8)18)15(20)19-14(10)12(17)7-9/h1-7H,(H,19,20)/b11-5-.
What are the key properties of (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one?
(3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 397.04 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,7-dibromo-3-[(2-fluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 26366641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).