N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide

C26H23F6NO3 — CID 59458403

About N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide

N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide (PubChem CID 59458403) has the molecular formula C26H23F6NO3 and a molecular weight of 511.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide
• PubChem CID: 59458403
• Molecular Formula: C26H23F6NO3
• Molecular Weight: 511.46 g/mol
• Exact Mass: 511.16
• IUPAC Name: N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide
• SMILES: CC(O)CC(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1
• InChI: InChI=1S/C26H23F6NO3/c1-16(34)11-23(35)33-25(15-17-5-3-2-4-6-17,18-7-9-20(27)10-8-18)19-12-21(28)14-22(13-19)36-26(31,32)24(29)30/h2-10,12-14,16,24,34H,11,15H2,1H3,(H,33,35)/t16?,25-/m1/s1
• InChIKey: TYLHHWKOBUZDNW-ZRSRXRGLSA-N
• XLogP: 5.57
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.46
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide?

The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide (CID 59458403) is N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide.

What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide?

The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide is CC(O)CC(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1.

What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide?

The InChIKey is TYLHHWKOBUZDNW-ZRSRXRGLSA-N. The full InChI is InChI=1S/C26H23F6NO3/c1-16(34)11-23(35)33-25(15-17-5-3-2-4-6-17,18-7-9-20(27)10-8-18)19-12-21(28)14-22(13-19)36-26(31,32)24(29)30/h2-10,12-14,16,24,34H,11,15H2,1H3,(H,33,35)/t16?,25-/m1/s1.

What are the key properties of N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide?

N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide has a molecular weight of 511.46 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-hydroxybutanamide is sourced from PubChem (CID 59458403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).