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

C20H15ClFNO — CID 122228494

IUPAC1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one
SMILESCCn1c(C)c(-c2ccc(Cl)cc2)c2c1C(=O)c1ccc(F)cc1-2
InChIInChI=1S/C20H15ClFNO/c1-3-23-11(2)17(12-4-6-13(21)7-5-12)18-16-10-14(22)8-9-15(16)20(24)19(18)23/h4-10H,3H2,1-2H3
InChIKeyDOJBMOSSXUURAE-UHFFFAOYSA-N
MW339.80 g/mol
LogP5.49
Rot. Bonds2

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

1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one (PubChem CID 122228494) has the molecular formula C20H15ClFNO and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one
PubChem CID122228494
Molecular FormulaC20H15ClFNO
Molecular Weight339.80 g/mol
Exact Mass339.08
IUPAC Name1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one
SMILESCCn1c(C)c(-c2ccc(Cl)cc2)c2c1C(=O)c1ccc(F)cc1-2
InChIInChI=1S/C20H15ClFNO/c1-3-23-11(2)17(12-4-6-13(21)7-5-12)18-16-10-14(22)8-9-15(16)20(24)19(18)23/h4-10H,3H2,1-2H3
InChIKeyDOJBMOSSXUURAE-UHFFFAOYSA-N
XLogP5.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.80
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one (CID 122228494) is 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one is CCn1c(C)c(-c2ccc(Cl)cc2)c2c1C(=O)c1ccc(F)cc1-2.
What is the InChIKey of 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one?
The InChIKey is DOJBMOSSXUURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO/c1-3-23-11(2)17(12-4-6-13(21)7-5-12)18-16-10-14(22)8-9-15(16)20(24)19(18)23/h4-10H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one?
1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one has a molecular weight of 339.80 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-ethyl-7-fluoro-2-methylindeno[2,3-b]pyrrol-4-one is sourced from PubChem (CID 122228494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).