2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide

C20H23FN2O2 — CID 42157239

About 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide

2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide (PubChem CID 42157239) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
• PubChem CID: 42157239
• Molecular Formula: C20H23FN2O2
• Molecular Weight: 342.41 g/mol
• Exact Mass: 342.17
• IUPAC Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
• SMILES: Cc1c(CC(=O)N(C)C)c2c(n1Cc1ccc(F)cc1)CCCC2=O
• InChI: InChI=1S/C20H23FN2O2/c1-13-16(11-19(25)22(2)3)20-17(5-4-6-18(20)24)23(13)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-12H2,1-3H3
• InChIKey: IGGXCFDOBFDENT-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 42.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.41
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide (CID 42157239) is 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide is Cc1c(CC(=O)N(C)C)c2c(n1Cc1ccc(F)cc1)CCCC2=O.

What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?

The InChIKey is IGGXCFDOBFDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-16(11-19(25)22(2)3)20-17(5-4-6-18(20)24)23(13)12-14-7-9-15(21)10-8-14/h7-10H,4-6,11-12H2,1-3H3.

What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide?

2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide has a molecular weight of 342.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 42157239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).