2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

C28H32F2N2O3 — CID 144811446

About 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (PubChem CID 144811446) has the molecular formula C28H32F2N2O3 and a molecular weight of 482.57 g/mol. Its IUPAC name is 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.

Molecular Properties

• Compound Name: 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
• PubChem CID: 144811446
• Molecular Formula: C28H32F2N2O3
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.24
• IUPAC Name: 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
• SMILES: NC(=O)C(F)(F)Cc1ccc2ccccc2c1.c1cc2c(cc1CCCN1CCCC1)OCCO2
• InChI: InChI=1S/C15H21NO2.C13H11F2NO/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;14-13(15,12(16)17)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-6,12H,1-4,7-11H2;1-7H,8H2,(H2,16,17)
• InChIKey: KJKQSMSPFYRHIY-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

The IUPAC name of 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (CID 144811446) is 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.

What is the SMILES notation for 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

The canonical SMILES for 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is NC(=O)C(F)(F)Cc1ccc2ccccc2c1.c1cc2c(cc1CCCN1CCCC1)OCCO2.

What is the InChIKey of 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

The InChIKey is KJKQSMSPFYRHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C13H11F2NO/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;14-13(15,12(16)17)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-6,12H,1-4,7-11H2;1-7H,8H2,(H2,16,17).

What are the key properties of 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?

2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine has a molecular weight of 482.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is sourced from PubChem (CID 144811446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).