2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate

C20H19F3N2O3 — CID 166585911

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

2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 166585911) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

• Compound Name: 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate
• PubChem CID: 166585911
• Molecular Formula: C20H19F3N2O3
• Molecular Weight: 392.38 g/mol
• Exact Mass: 392.13
• IUPAC Name: 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate
• SMILES: CC(CO)NC(=O)OCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
• InChI: InChI=1S/C20H19F3N2O3/c1-11(10-26)24-20(27)28-7-6-15-16-8-14(22)9-17(23)19(16)25-18(15)12-2-4-13(21)5-3-12/h2-5,8-9,11,25-26H,6-7,10H2,1H3,(H,24,27)
• InChIKey: IDUZOJVNRQCLSH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 74.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.38
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate (CID 166585911) is 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate.

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

The canonical SMILES for 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate is CC(CO)NC(=O)OCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.

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

The InChIKey is IDUZOJVNRQCLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-11(10-26)24-20(27)28-7-6-15-16-8-14(22)9-17(23)19(16)25-18(15)12-2-4-13(21)5-3-12/h2-5,8-9,11,25-26H,6-7,10H2,1H3,(H,24,27).

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

2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 392.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl N-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 166585911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).