3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one

C21H18FNO2 — CID 122228501

IUPAC3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one
SMILESCCn1c(C)c(-c2ccc(OC)cc2)c2c1C(=O)c1ccc(F)cc1-2
InChIInChI=1S/C21H18FNO2/c1-4-23-12(2)18(13-5-8-15(25-3)9-6-13)19-17-11-14(22)7-10-16(17)21(24)20(19)23/h5-11H,4H2,1-3H3
InChIKeySXPIGWLPUXWQGI-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.84
Rot. Bonds3

About 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one

3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one (PubChem CID 122228501) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one.

Molecular Properties

Compound Name3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one
PubChem CID122228501
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one
SMILESCCn1c(C)c(-c2ccc(OC)cc2)c2c1C(=O)c1ccc(F)cc1-2
InChIInChI=1S/C21H18FNO2/c1-4-23-12(2)18(13-5-8-15(25-3)9-6-13)19-17-11-14(22)7-10-16(17)21(24)20(19)23/h5-11H,4H2,1-3H3
InChIKeySXPIGWLPUXWQGI-UHFFFAOYSA-N
XLogP4.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_I(2)', 'substructure': 'N/A'}

Analyze 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-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 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one?
The IUPAC name of 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one (CID 122228501) is 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one.
What is the SMILES notation for 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one?
The canonical SMILES for 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one is CCn1c(C)c(-c2ccc(OC)cc2)c2c1C(=O)c1ccc(F)cc1-2.
What is the InChIKey of 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one?
The InChIKey is SXPIGWLPUXWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-4-23-12(2)18(13-5-8-15(25-3)9-6-13)19-17-11-14(22)7-10-16(17)21(24)20(19)23/h5-11H,4H2,1-3H3.
What are the key properties of 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one?
3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one has a molecular weight of 335.38 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-fluoro-1-(4-methoxyphenyl)-2-methylindeno[2,3-b]pyrrol-4-one is sourced from PubChem (CID 122228501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).