N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide

C24H23F2N3O2 — CID 42814029

About N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide

N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide (PubChem CID 42814029) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
• PubChem CID: 42814029
• Molecular Formula: C24H23F2N3O2
• Molecular Weight: 423.46 g/mol
• Exact Mass: 423.18
• IUPAC Name: N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide
• SMILES: CCN(CC(=O)N1CCn2cccc2C1c1ccccc1F)C(=O)c1cccc(F)c1
• InChI: InChI=1S/C24H23F2N3O2/c1-2-27(24(31)17-7-5-8-18(25)15-17)16-22(30)29-14-13-28-12-6-11-21(28)23(29)19-9-3-4-10-20(19)26/h3-12,15,23H,2,13-14,16H2,1H3
• InChIKey: YZXBHPINAASVHS-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.46
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide?

The IUPAC name of N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide (CID 42814029) is N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide?

The canonical SMILES for N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide is CCN(CC(=O)N1CCn2cccc2C1c1ccccc1F)C(=O)c1cccc(F)c1.

What is the InChIKey of N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide?

The InChIKey is YZXBHPINAASVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-2-27(24(31)17-7-5-8-18(25)15-17)16-22(30)29-14-13-28-12-6-11-21(28)23(29)19-9-3-4-10-20(19)26/h3-12,15,23H,2,13-14,16H2,1H3.

What are the key properties of N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide?

N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide has a molecular weight of 423.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-fluoro-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42814029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).