2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide

C28H28F2N2O5 — CID 10481439

About 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide

2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide (PubChem CID 10481439) has the molecular formula C28H28F2N2O5 and a molecular weight of 510.54 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 10481439
• Molecular Formula: C28H28F2N2O5
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.20
• IUPAC Name: 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide
• SMILES: O=C(COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)NCCO
• InChI: InChI=1S/C28H28F2N2O5/c29-20-5-1-18(2-6-20)25(34)14-13-24-27(32(28(24)36)22-9-7-21(30)8-10-22)19-3-11-23(12-4-19)37-17-26(35)31-15-16-33/h1-12,24-25,27,33-34H,13-17H2,(H,31,35)
• InChIKey: IMMKZRDTVYDEDQ-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 99.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide (CID 10481439) is 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide is O=C(COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)NCCO.

What is the InChIKey of 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide?

The InChIKey is IMMKZRDTVYDEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O5/c29-20-5-1-18(2-6-20)25(34)14-13-24-27(32(28(24)36)22-9-7-21(30)8-10-22)19-3-11-23(12-4-19)37-17-26(35)31-15-16-33/h1-12,24-25,27,33-34H,13-17H2,(H,31,35).

What are the key properties of 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide?

2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide has a molecular weight of 510.54 g/mol, XLogP of 3.67, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 10481439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).