(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one

C17H14FNO3 — CID 16655081

IUPAC(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one
SMILESCOc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccccc1F)N2
InChIInChI=1S/C17H14FNO3/c1-21-11-8-13-16(15(9-11)22-2)17(20)14(19-13)7-10-5-3-4-6-12(10)18/h3-9,19H,1-2H3/b14-7-
InChIKeySYBYBLPDUCHNOQ-AUWJEWJLSA-N
MW299.30 g/mol
LogP3.49
Rot. Bonds3

About (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one

(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one (PubChem CID 16655081) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one
PubChem CID16655081
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one
SMILESCOc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccccc1F)N2
InChIInChI=1S/C17H14FNO3/c1-21-11-8-13-16(15(9-11)22-2)17(20)14(19-13)7-10-5-3-4-6-12(10)18/h3-9,19H,1-2H3/b14-7-
InChIKeySYBYBLPDUCHNOQ-AUWJEWJLSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one?
The IUPAC name of (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one (CID 16655081) is (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one.
What is the SMILES notation for (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one?
The canonical SMILES for (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one is COc1cc2c(c(OC)c1)C(=O)/C(=C/c1ccccc1F)N2.
What is the InChIKey of (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one?
The InChIKey is SYBYBLPDUCHNOQ-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-21-11-8-13-16(15(9-11)22-2)17(20)14(19-13)7-10-5-3-4-6-12(10)18/h3-9,19H,1-2H3/b14-7-.
What are the key properties of (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one?
(2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one has a molecular weight of 299.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-fluorophenyl)methylidene]-4,6-dimethoxy-1H-indol-3-one is sourced from PubChem (CID 16655081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).