N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide

C₁₈H₁₅F₂N₃O — CID 171559389

About N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide

N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide (PubChem CID 171559389) has the molecular formula C₁₈H₁₅F₂N₃O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide.

Molecular Properties

• Compound Name: N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
• PubChem CID: 171559389
• Molecular Formula: C₁₈H₁₅F₂N₃O
• Molecular Weight: 327.33 g/mol
• Exact Mass: 327.12
• IUPAC Name: N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
• SMILES: Cn1nc(NC(=O)c2ccc(F)c(F)c2)c2cccc(C3CC3)c21
• InChI: InChI=1S/C18H15F2N3O/c1-23-16-12(10-5-6-10)3-2-4-13(16)17(22-23)21-18(24)11-7-8-14(19)15(20)9-11/h2-4,7-10H,5-6H2,1H3,(H,21,22,24)
• InChIKey: IHEUDPZIDJLGDN-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.33
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?

The IUPAC name of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide (CID 171559389) is N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide.

What is the SMILES notation for N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?

The canonical SMILES for N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide is Cn1nc(NC(=O)c2ccc(F)c(F)c2)c2cccc(C3CC3)c21.

What is the InChIKey of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?

The InChIKey is IHEUDPZIDJLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-23-16-12(10-5-6-10)3-2-4-13(16)17(22-23)21-18(24)11-7-8-14(19)15(20)9-11/h2-4,7-10H,5-6H2,1H3,(H,21,22,24).

What are the key properties of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?

N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide has a molecular weight of 327.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 171559389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171559389 — identifiers, structure, computed properties (public domain)

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