2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide

C19H19F4N3O2 — CID 123441816

About 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide

2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide (PubChem CID 123441816) has the molecular formula C19H19F4N3O2 and a molecular weight of 397.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide
• PubChem CID: 123441816
• Molecular Formula: C19H19F4N3O2
• Molecular Weight: 397.37 g/mol
• Exact Mass: 397.14
• IUPAC Name: 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide
• SMILES: O=C(NC(CF)C(O)c1ccc(-c2ccc(C3(F)CNC3)nc2)cc1)C(F)F
• InChI: InChI=1S/C19H19F4N3O2/c20-7-14(26-18(28)17(21)22)16(27)12-3-1-11(2-4-12)13-5-6-15(25-8-13)19(23)9-24-10-19/h1-6,8,14,16-17,24,27H,7,9-10H2,(H,26,28)
• InChIKey: UQRGANRTXIAASA-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.37
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide?

The IUPAC name of 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide (CID 123441816) is 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide.

What is the SMILES notation for 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide?

The canonical SMILES for 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide is O=C(NC(CF)C(O)c1ccc(-c2ccc(C3(F)CNC3)nc2)cc1)C(F)F.

What is the InChIKey of 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide?

The InChIKey is UQRGANRTXIAASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2/c20-7-14(26-18(28)17(21)22)16(27)12-3-1-11(2-4-12)13-5-6-15(25-8-13)19(23)9-24-10-19/h1-6,8,14,16-17,24,27H,7,9-10H2,(H,26,28).

What are the key properties of 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide?

2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide has a molecular weight of 397.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 123441816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).