N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide

C32H26F5NO4 — CID 58523220

About N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide

N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 58523220) has the molecular formula C32H26F5NO4 and a molecular weight of 583.55 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 58523220
• Molecular Formula: C32H26F5NO4
• Molecular Weight: 583.55 g/mol
• Exact Mass: 583.18
• IUPAC Name: N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(Cc1cccc(C(F)(F)F)c1F)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccc(F)cc2)cc1
• InChI: InChI=1S/C32H26F5NO4/c33-24-11-15-26(16-12-24)42-25-13-9-21(10-14-25)17-29(39)28(20-41-19-22-5-2-1-3-6-22)38-30(40)18-23-7-4-8-27(31(23)34)32(35,36)37/h1-16,28H,17-20H2,(H,38,40)
• InChIKey: QTJCXDKNUHULLN-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.55
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 58523220) is N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1F)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccc(F)cc2)cc1.

What is the InChIKey of N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is QTJCXDKNUHULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F5NO4/c33-24-11-15-26(16-12-24)42-25-13-9-21(10-14-25)17-29(39)28(20-41-19-22-5-2-1-3-6-22)38-30(40)18-23-7-4-8-27(31(23)34)32(35,36)37/h1-16,28H,17-20H2,(H,38,40).

What are the key properties of N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?

N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 583.55 g/mol, XLogP of 6.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58523220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).