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

C23H20F6N2O2 — CID 156816170

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

2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide (PubChem CID 156816170) has the molecular formula C23H20F6N2O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
• PubChem CID: 156816170
• Molecular Formula: C23H20F6N2O2
• Molecular Weight: 470.41 g/mol
• Exact Mass: 470.14
• IUPAC Name: 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
• SMILES: O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N[C@H](CO)C(F)(F)F
• InChI: InChI=1S/C23H20F6N2O2/c24-14-3-1-12(2-4-14)21-20(16-8-15(25)9-17(26)22(16)31-21)13-5-11(6-13)7-19(33)30-18(10-32)23(27,28)29/h1-4,8-9,11,13,18,31-32H,5-7,10H2,(H,30,33)/t11?,13?,18-/m1/s1
• InChIKey: RNMGPIDWIWACFS-LJMKFJKQSA-N
• XLogP: 5.18
• TPSA: 65.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.41
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide (CID 156816170) is 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide.

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

The canonical SMILES for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide is O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N[C@H](CO)C(F)(F)F.

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

The InChIKey is RNMGPIDWIWACFS-LJMKFJKQSA-N. The full InChI is InChI=1S/C23H20F6N2O2/c24-14-3-1-12(2-4-14)21-20(16-8-15(25)9-17(26)22(16)31-21)13-5-11(6-13)7-19(33)30-18(10-32)23(27,28)29/h1-4,8-9,11,13,18,31-32H,5-7,10H2,(H,30,33)/t11?,13?,18-/m1/s1.

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

2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide has a molecular weight of 470.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 156816170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).