[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone

C18H16FNO2 — CID 174453547

IUPAC[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone
SMILESCCOC1C(=C=O)c2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-2-22-18-16(12-21)15-5-3-4-6-17(15)20(18)11-13-7-9-14(19)10-8-13/h3-10,18H,2,11H2,1H3
InChIKeyIEGKYCCRVCVRGY-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.42
Rot. Bonds4

About [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone

[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone (PubChem CID 174453547) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone.

Molecular Properties

Compound Name[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone
PubChem CID174453547
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone
SMILESCCOC1C(=C=O)c2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-2-22-18-16(12-21)15-5-3-4-6-17(15)20(18)11-13-7-9-14(19)10-8-13/h3-10,18H,2,11H2,1H3
InChIKeyIEGKYCCRVCVRGY-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone 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 [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone?
The IUPAC name of [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone (CID 174453547) is [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone.
What is the SMILES notation for [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone?
The canonical SMILES for [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone is CCOC1C(=C=O)c2ccccc2N1Cc1ccc(F)cc1.
What is the InChIKey of [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone?
The InChIKey is IEGKYCCRVCVRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-2-22-18-16(12-21)15-5-3-4-6-17(15)20(18)11-13-7-9-14(19)10-8-13/h3-10,18H,2,11H2,1H3.
What are the key properties of [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone?
[2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone has a molecular weight of 297.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-[(4-fluorophenyl)methyl]-2H-indol-3-ylidene]methanone is sourced from PubChem (CID 174453547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).