RBVIDRKFSSENTN-UHFFFAOYSA-N

C₂₀H₁₇F₂N₃O — CID 118607051

About RBVIDRKFSSENTN-UHFFFAOYSA-N

RBVIDRKFSSENTN-UHFFFAOYSA-N (PubChem CID 118607051) has the molecular formula C₂₀H₁₇F₂N₃O and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-anilino-2-[2-(difluoromethyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

• Compound Name: RBVIDRKFSSENTN-UHFFFAOYSA-N
• PubChem CID: 118607051
• Molecular Formula: C₂₀H₁₇F₂N₃O
• Molecular Weight: 353.37 g/mol
• Exact Mass: 353.13
• IUPAC Name: 3-anilino-2-[2-(difluoromethyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
• SMILES: O=C1CCCc2[nH]c(-c3ccnc(C(F)F)c3)c(Nc3ccccc3)c21
• InChI: InChI=1S/C20H17F2N3O/c21-20(22)15-11-12(9-10-23-15)18-19(24-13-5-2-1-3-6-13)17-14(25-18)7-4-8-16(17)26/h1-3,5-6,9-11,20,24-25H,4,7-8H2
• InChIKey: RBVIDRKFSSENTN-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.37
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of RBVIDRKFSSENTN-UHFFFAOYSA-N?

The IUPAC name of RBVIDRKFSSENTN-UHFFFAOYSA-N (CID 118607051) is 3-anilino-2-[2-(difluoromethyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one.

What is the SMILES notation for RBVIDRKFSSENTN-UHFFFAOYSA-N?

The canonical SMILES for RBVIDRKFSSENTN-UHFFFAOYSA-N is O=C1CCCc2[nH]c(-c3ccnc(C(F)F)c3)c(Nc3ccccc3)c21.

What is the InChIKey of RBVIDRKFSSENTN-UHFFFAOYSA-N?

The InChIKey is RBVIDRKFSSENTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-20(22)15-11-12(9-10-23-15)18-19(24-13-5-2-1-3-6-13)17-14(25-18)7-4-8-16(17)26/h1-3,5-6,9-11,20,24-25H,4,7-8H2.

What are the key properties of RBVIDRKFSSENTN-UHFFFAOYSA-N?

RBVIDRKFSSENTN-UHFFFAOYSA-N has a molecular weight of 353.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for RBVIDRKFSSENTN-UHFFFAOYSA-N is sourced from PubChem (CID 118607051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118607051 — identifiers, structure, computed properties (public domain)

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