2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide

C21H15F2N3O2 — CID 68753189

About 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide

2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide (PubChem CID 68753189) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide
• PubChem CID: 68753189
• Molecular Formula: C21H15F2N3O2
• Molecular Weight: 379.37 g/mol
• Exact Mass: 379.11
• IUPAC Name: 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide
• SMILES: NC(=O)c1ccc(F)c(C(O)c2c[nH]c3ncc(-c4ccccc4)cc23)c1F
• InChI: InChI=1S/C21H15F2N3O2/c22-16-7-6-13(20(24)28)18(23)17(16)19(27)15-10-26-21-14(15)8-12(9-25-21)11-4-2-1-3-5-11/h1-10,19,27H,(H2,24,28)(H,25,26)
• InChIKey: COKWCXSOCVPDJZ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 92.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.37
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide?

The IUPAC name of 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide (CID 68753189) is 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide.

What is the SMILES notation for 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide?

The canonical SMILES for 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide is NC(=O)c1ccc(F)c(C(O)c2c[nH]c3ncc(-c4ccccc4)cc23)c1F.

What is the InChIKey of 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide?

The InChIKey is COKWCXSOCVPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-16-7-6-13(20(24)28)18(23)17(16)19(27)15-10-26-21-14(15)8-12(9-25-21)11-4-2-1-3-5-11/h1-10,19,27H,(H2,24,28)(H,25,26).

What are the key properties of 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide?

2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide has a molecular weight of 379.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-3-[hydroxy-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 68753189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).