[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate

C23H20F3N3O3 — CID 156815809

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 156815809) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
• PubChem CID: 156815809
• Molecular Formula: C23H20F3N3O3
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.15
• IUPAC Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
• SMILES: O=C(N[C@@H]1CCNC1=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C23H20F3N3O3/c24-13-3-1-11(2-4-13)20-19(16-9-14(25)10-17(26)21(16)29-20)12-7-15(8-12)32-23(31)28-18-5-6-27-22(18)30/h1-4,9-10,12,15,18,29H,5-8H2,(H,27,30)(H,28,31)/t12?,15?,18-/m1/s1
• InChIKey: HXNANBAMTBVJMC-GUUHALQZSA-N
• XLogP: 4.11
• TPSA: 83.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?

The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate (CID 156815809) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate.

What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?

The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate is O=C(N[C@@H]1CCNC1=O)OC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

What is the InChIKey of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?

The InChIKey is HXNANBAMTBVJMC-GUUHALQZSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-13-3-1-11(2-4-13)20-19(16-9-14(25)10-17(26)21(16)29-20)12-7-15(8-12)32-23(31)28-18-5-6-27-22(18)30/h1-4,9-10,12,15,18,29H,5-8H2,(H,27,30)(H,28,31)/t12?,15?,18-/m1/s1.

What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate?

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 443.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(3R)-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 156815809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).