3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one

C25H31FN2O2 — CID 11611257

About 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one

3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 11611257) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one
• PubChem CID: 11611257
• Molecular Formula: C25H31FN2O2
• Molecular Weight: 410.53 g/mol
• Exact Mass: 410.24
• IUPAC Name: 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one
• SMILES: CCN(CC)CCCc1ccc2c(c1)C(C)(C)OC2C1C(=O)Nc2ccc(F)cc21
• InChI: InChI=1S/C25H31FN2O2/c1-5-28(6-2)13-7-8-16-9-11-18-20(14-16)25(3,4)30-23(18)22-19-15-17(26)10-12-21(19)27-24(22)29/h9-12,14-15,22-23H,5-8,13H2,1-4H3,(H,27,29)
• InChIKey: NFCGVJCUTWIUIC-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?

The IUPAC name of 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one (CID 11611257) is 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one.

What is the SMILES notation for 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?

The canonical SMILES for 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one is CCN(CC)CCCc1ccc2c(c1)C(C)(C)OC2C1C(=O)Nc2ccc(F)cc21.

What is the InChIKey of 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?

The InChIKey is NFCGVJCUTWIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-5-28(6-2)13-7-8-16-9-11-18-20(14-16)25(3,4)30-23(18)22-19-15-17(26)10-12-21(19)27-24(22)29/h9-12,14-15,22-23H,5-8,13H2,1-4H3,(H,27,29).

What are the key properties of 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?

3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 410.53 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 11611257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).