(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole

C21H22FNO — CID 70252836

IUPAC(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole
SMILESCOc1ccc(/C=C2/CNc3ccc(F)cc32)cc1C1CCCC1
InChIInChI=1S/C21H22FNO/c1-24-21-9-6-14(11-19(21)15-4-2-3-5-15)10-16-13-23-20-8-7-17(22)12-18(16)20/h6-12,15,23H,2-5,13H2,1H3/b16-10-
InChIKeyIZHYCFJFICGJRM-YBEGLDIGSA-N
MW323.41 g/mol
LogP5.46
Rot. Bonds3

About (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole

(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole (PubChem CID 70252836) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole.

Molecular Properties

Compound Name(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole
PubChem CID70252836
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole
SMILESCOc1ccc(/C=C2/CNc3ccc(F)cc32)cc1C1CCCC1
InChIInChI=1S/C21H22FNO/c1-24-21-9-6-14(11-19(21)15-4-2-3-5-15)10-16-13-23-20-8-7-17(22)12-18(16)20/h6-12,15,23H,2-5,13H2,1H3/b16-10-
InChIKeyIZHYCFJFICGJRM-YBEGLDIGSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole 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 (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole?
The IUPAC name of (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole (CID 70252836) is (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole.
What is the SMILES notation for (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole?
The canonical SMILES for (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole is COc1ccc(/C=C2/CNc3ccc(F)cc32)cc1C1CCCC1.
What is the InChIKey of (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole?
The InChIKey is IZHYCFJFICGJRM-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H22FNO/c1-24-21-9-6-14(11-19(21)15-4-2-3-5-15)10-16-13-23-20-8-7-17(22)12-18(16)20/h6-12,15,23H,2-5,13H2,1H3/b16-10-.
What are the key properties of (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole?
(3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole has a molecular weight of 323.41 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-5-fluoro-1,2-dihydroindole is sourced from PubChem (CID 70252836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).