(3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one

C23H14F2N4O — CID 151668781

IUPAC(3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccccc3F)nn2)cc1
InChIInChI=1S/C23H14F2N4O/c24-16-9-10-20-17(12-16)18(23(30)26-20)11-14-5-7-15(8-6-14)21-13-29(28-27-21)22-4-2-1-3-19(22)25/h1-13H,(H,26,30)/b18-11-
InChIKeyQYCCIGJWCMIUEQ-WQRHYEAKSA-N
MW400.39 g/mol
LogP4.71
Rot. Bonds3

About (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one (PubChem CID 151668781) has the molecular formula C23H14F2N4O and a molecular weight of 400.39 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
PubChem CID151668781
Molecular FormulaC23H14F2N4O
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC Name(3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccccc3F)nn2)cc1
InChIInChI=1S/C23H14F2N4O/c24-16-9-10-20-17(12-16)18(23(30)26-20)11-14-5-7-15(8-6-14)21-13-29(28-27-21)22-4-2-1-3-19(22)25/h1-13H,(H,26,30)/b18-11-
InChIKeyQYCCIGJWCMIUEQ-WQRHYEAKSA-N
XLogP4.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one (CID 151668781) is (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C/c1ccc(-c2cn(-c3ccccc3F)nn2)cc1.
What is the InChIKey of (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is QYCCIGJWCMIUEQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H14F2N4O/c24-16-9-10-20-17(12-16)18(23(30)26-20)11-14-5-7-15(8-6-14)21-13-29(28-27-21)22-4-2-1-3-19(22)25/h1-13H,(H,26,30)/b18-11-.
What are the key properties of (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 400.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[[4-[1-(2-fluorophenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 151668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).