3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one

C21H16FNO2 — CID 3849038

IUPAC3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1F
InChIInChI=1S/C21H16FNO2/c1-11-17(12(2)24)18(15-9-5-6-10-16(15)22)19-20(23-11)13-7-3-4-8-14(13)21(19)25/h3-10,18,23H,1-2H3
InChIKeyHLUGACIVFAAJGK-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.98
Rot. Bonds2

About 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one

3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 3849038) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID3849038
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1F
InChIInChI=1S/C21H16FNO2/c1-11-17(12(2)24)18(15-9-5-6-10-16(15)22)19-20(23-11)13-7-3-4-8-14(13)21(19)25/h3-10,18,23H,1-2H3
InChIKeyHLUGACIVFAAJGK-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one (CID 3849038) is 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one is CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1F.
What is the InChIKey of 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is HLUGACIVFAAJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-11-17(12(2)24)18(15-9-5-6-10-16(15)22)19-20(23-11)13-7-3-4-8-14(13)21(19)25/h3-10,18,23H,1-2H3.
What are the key properties of 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 333.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 3849038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).