4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide

C25H21Cl2F5N2O4 — CID 162235456

About 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide

4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide (PubChem CID 162235456) has the molecular formula C25H21Cl2F5N2O4 and a molecular weight of 579.35 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
• PubChem CID: 162235456
• Molecular Formula: C25H21Cl2F5N2O4
• Molecular Weight: 579.35 g/mol
• Exact Mass: 578.08
• IUPAC Name: 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
• SMILES: Cc1cc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@H]1CON(CC(C)(F)F)C1=O
• InChI: InChI=1S/C25H21Cl2F5N2O4/c1-13-5-14(3-4-19(13)21(35)33-20-11-38-34(22(20)36)12-23(2,28)29)15-9-24(37-10-15,25(30,31)32)16-6-17(26)8-18(27)7-16/h3-8,10,20H,9,11-12H2,1-2H3,(H,33,35)/t20-,24?/m0/s1
• InChIKey: BHAGUPKXWGMETP-QHELBMECSA-N
• XLogP: 6.05
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.35
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?

The IUPAC name of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide (CID 162235456) is 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide.

What is the SMILES notation for 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?

The canonical SMILES for 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide is Cc1cc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N[C@H]1CON(CC(C)(F)F)C1=O.

What is the InChIKey of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?

The InChIKey is BHAGUPKXWGMETP-QHELBMECSA-N. The full InChI is InChI=1S/C25H21Cl2F5N2O4/c1-13-5-14(3-4-19(13)21(35)33-20-11-38-34(22(20)36)12-23(2,28)29)15-9-24(37-10-15,25(30,31)32)16-6-17(26)8-18(27)7-16/h3-8,10,20H,9,11-12H2,1-2H3,(H,33,35)/t20-,24?/m0/s1.

What are the key properties of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide?

4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide has a molecular weight of 579.35 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 162235456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).