1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea

C23H20F3N3O2 — CID 166585913

About 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea

1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 166585913) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
• PubChem CID: 166585913
• Molecular Formula: C23H20F3N3O2
• Molecular Weight: 427.43 g/mol
• Exact Mass: 427.15
• IUPAC Name: 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
• SMILES: Cc1occc1CNC(=O)NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
• InChI: InChI=1S/C23H20F3N3O2/c1-13-15(7-9-31-13)12-28-23(30)27-8-6-18-19-10-17(25)11-20(26)22(19)29-21(18)14-2-4-16(24)5-3-14/h2-5,7,9-11,29H,6,8,12H2,1H3,(H2,27,28,30)
• InChIKey: ZARLFRHFJIJTMC-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 70.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.43
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?

The IUPAC name of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea (CID 166585913) is 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea.

What is the SMILES notation for 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?

The canonical SMILES for 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CNC(=O)NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.

What is the InChIKey of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?

The InChIKey is ZARLFRHFJIJTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-13-15(7-9-31-13)12-28-23(30)27-8-6-18-19-10-17(25)11-20(26)22(19)29-21(18)14-2-4-16(24)5-3-14/h2-5,7,9-11,29H,6,8,12H2,1H3,(H2,27,28,30).

What are the key properties of 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?

1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 427.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 166585913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).