5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide

C27H24ClF10NO4 — CID 58483264

About 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide

5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide (PubChem CID 58483264) has the molecular formula C27H24ClF10NO4 and a molecular weight of 651.93 g/mol. Its IUPAC name is 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide.

Molecular Properties

• Compound Name: 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide
• PubChem CID: 58483264
• Molecular Formula: C27H24ClF10NO4
• Molecular Weight: 651.93 g/mol
• Exact Mass: 651.12
• IUPAC Name: 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide
• SMILES: CC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)NCC(F)(F)C(F)(F)F)c2)c1)C(F)(F)F
• InChI: InChI=1S/C27H24ClF10NO4/c1-24(2,26(33,34)35)21(41)8-5-14-3-6-18(28)16(9-14)19(40)11-15-4-7-20(43-12-22(29)30)17(10-15)23(42)39-13-25(31,32)27(36,37)38/h3-4,6-7,9-10,22H,5,8,11-13H2,1-2H3,(H,39,42)
• InChIKey: ZYIKUJSOYHRNNF-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.93
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide?

The IUPAC name of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide (CID 58483264) is 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide.

What is the SMILES notation for 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide?

The canonical SMILES for 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide is CC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)NCC(F)(F)C(F)(F)F)c2)c1)C(F)(F)F.

What is the InChIKey of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide?

The InChIKey is ZYIKUJSOYHRNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF10NO4/c1-24(2,26(33,34)35)21(41)8-5-14-3-6-18(28)16(9-14)19(40)11-15-4-7-20(43-12-22(29)30)17(10-15)23(42)39-13-25(31,32)27(36,37)38/h3-4,6-7,9-10,22H,5,8,11-13H2,1-2H3,(H,39,42).

What are the key properties of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide?

5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide has a molecular weight of 651.93 g/mol, XLogP of 7.43, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide is sourced from PubChem (CID 58483264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).