(3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one

C16H12FNO — CID 24761155

IUPAC(3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
SMILESCc1ccccc1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C16H12FNO/c1-10-4-2-3-5-11(10)8-14-13-9-12(17)6-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8-
InChIKeyJZPATMFUZQXJQT-ZSOIEALJSA-N
MW253.28 g/mol
LogP3.63
Rot. Bonds1

About (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one (PubChem CID 24761155) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
PubChem CID24761155
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
SMILESCc1ccccc1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C16H12FNO/c1-10-4-2-3-5-11(10)8-14-13-9-12(17)6-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8-
InChIKeyJZPATMFUZQXJQT-ZSOIEALJSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one (CID 24761155) is (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one is Cc1ccccc1/C=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is JZPATMFUZQXJQT-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H12FNO/c1-10-4-2-3-5-11(10)8-14-13-9-12(17)6-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)/b14-8-.
What are the key properties of (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 253.28 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 24761155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).