5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

C29H24F3N3O3 — CID 78023732

About 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 78023732) has the molecular formula C29H24F3N3O3 and a molecular weight of 519.52 g/mol. Its IUPAC name is 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
• PubChem CID: 78023732
• Molecular Formula: C29H24F3N3O3
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.18
• IUPAC Name: 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
• SMILES: NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)C(CO)c2ccccc2)ccc1F
• InChI: InChI=1S/C29H24F3N3O3/c30-20-11-17(12-21(31)15-20)13-26(35-29(38)24(16-36)18-5-2-1-3-6-18)27-22(7-4-10-34-27)19-8-9-25(32)23(14-19)28(33)37/h1-12,14-15,24,26,36H,13,16H2,(H2,33,37)(H,35,38)
• InChIKey: IJUZRGZRLGOMGH-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 105.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The IUPAC name of 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide (CID 78023732) is 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide.

What is the SMILES notation for 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The canonical SMILES for 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)C(CO)c2ccccc2)ccc1F.

What is the InChIKey of 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

The InChIKey is IJUZRGZRLGOMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O3/c30-20-11-17(12-21(31)15-20)13-26(35-29(38)24(16-36)18-5-2-1-3-6-18)27-22(7-4-10-34-27)19-8-9-25(32)23(14-19)28(33)37/h1-12,14-15,24,26,36H,13,16H2,(H2,33,37)(H,35,38).

What are the key properties of 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide?

5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 519.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 78023732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).