4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide

C32H24F9NO2 — CID 87475766

About 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 87475766) has the molecular formula C32H24F9NO2 and a molecular weight of 625.53 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 87475766
• Molecular Formula: C32H24F9NO2
• Molecular Weight: 625.53 g/mol
• Exact Mass: 625.17
• IUPAC Name: 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide
• SMILES: CC(C)Oc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(F)c(C(F)(F)F)c2)c(F)c1
• InChI: InChI=1S/C32H24F9NO2/c1-18(2)44-22-10-11-23(28(35)16-22)30(17-19-6-4-3-5-7-19,21-9-13-27(34)25(15-21)32(39,40)41)42-29(43)20-8-12-26(33)24(14-20)31(36,37)38/h3-16,18H,17H2,1-2H3,(H,42,43)
• InChIKey: SDWGOWHGQSVVIV-UHFFFAOYSA-N
• XLogP: 8.85
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.53
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide (CID 87475766) is 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide is CC(C)Oc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(F)c(C(F)(F)F)c2)c(F)c1.

What is the InChIKey of 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide?

The InChIKey is SDWGOWHGQSVVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F9NO2/c1-18(2)44-22-10-11-23(28(35)16-22)30(17-19-6-4-3-5-7-19,21-9-13-27(34)25(15-21)32(39,40)41)42-29(43)20-8-12-26(33)24(14-20)31(36,37)38/h3-16,18H,17H2,1-2H3,(H,42,43).

What are the key properties of 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide?

4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 625.53 g/mol, XLogP of 8.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-(2-fluoro-4-propan-2-yloxyphenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 87475766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).