(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

C26H19ClFNO4 — CID 35494021

IUPAC(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4c(F)cccc4Cl)ccc3C1=O)cn2C
InChIInChI=1S/C26H19ClFNO4/c1-29-13-15(19-11-16(31-2)7-9-23(19)29)10-25-26(30)18-8-6-17(12-24(18)33-25)32-14-20-21(27)4-3-5-22(20)28/h3-13H,14H2,1-2H3/b25-10-
InChIKeyIWOLYFZGYRVSFI-MRUKODCESA-N
MW463.89 g/mol
LogP6.17
Rot. Bonds5

About (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 35494021) has the molecular formula C26H19ClFNO4 and a molecular weight of 463.89 g/mol. Its IUPAC name is (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID35494021
Molecular FormulaC26H19ClFNO4
Molecular Weight463.89 g/mol
Exact Mass463.10
IUPAC Name(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4c(F)cccc4Cl)ccc3C1=O)cn2C
InChIInChI=1S/C26H19ClFNO4/c1-29-13-15(19-11-16(31-2)7-9-23(19)29)10-25-26(30)18-8-6-17(12-24(18)33-25)32-14-20-21(27)4-3-5-22(20)28/h3-13H,14H2,1-2H3/b25-10-
InChIKeyIWOLYFZGYRVSFI-MRUKODCESA-N
XLogP6.17
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.89
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (CID 35494021) is (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4c(F)cccc4Cl)ccc3C1=O)cn2C.
What is the InChIKey of (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is IWOLYFZGYRVSFI-MRUKODCESA-N. The full InChI is InChI=1S/C26H19ClFNO4/c1-29-13-15(19-11-16(31-2)7-9-23(19)29)10-25-26(30)18-8-6-17(12-24(18)33-25)32-14-20-21(27)4-3-5-22(20)28/h3-13H,14H2,1-2H3/b25-10-.
What are the key properties of (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 463.89 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 35494021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).