5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide

C27H25Cl2F8NO4 — CID 58483404

About 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide

5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 58483404) has the molecular formula C27H25Cl2F8NO4 and a molecular weight of 650.39 g/mol. Its IUPAC name is 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

• Compound Name: 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide
• PubChem CID: 58483404
• Molecular Formula: C27H25Cl2F8NO4
• Molecular Weight: 650.39 g/mol
• Exact Mass: 649.10
• IUPAC Name: 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide
• SMILES: CC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)NCCC(F)(F)F)c2)c1Cl)C(F)(F)F
• InChI: InChI=1S/C27H25Cl2F8NO4/c1-25(2,27(35,36)37)20(40)8-5-15-4-6-17(28)22(23(15)29)18(39)12-14-3-7-19(42-13-21(30)31)16(11-14)24(41)38-10-9-26(32,33)34/h3-4,6-7,11,21H,5,8-10,12-13H2,1-2H3,(H,38,41)
• InChIKey: DKODNJJHXBKAJR-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.39
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide?

The IUPAC name of 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide (CID 58483404) is 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide.

What is the SMILES notation for 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide?

The canonical SMILES for 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide is CC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)NCCC(F)(F)F)c2)c1Cl)C(F)(F)F.

What is the InChIKey of 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide?

The InChIKey is DKODNJJHXBKAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2F8NO4/c1-25(2,27(35,36)37)20(40)8-5-15-4-6-17(28)22(23(15)29)18(39)12-14-3-7-19(42-13-21(30)31)16(11-14)24(41)38-10-9-26(32,33)34/h3-4,6-7,11,21H,5,8-10,12-13H2,1-2H3,(H,38,41).

What are the key properties of 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide?

5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 650.39 g/mol, XLogP of 7.84, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 58483404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).