2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide

C24H18F6N2O4 — CID 14100481

About 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide (PubChem CID 14100481) has the molecular formula C24H18F6N2O4 and a molecular weight of 512.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
• PubChem CID: 14100481
• Molecular Formula: C24H18F6N2O4
• Molecular Weight: 512.41 g/mol
• Exact Mass: 512.12
• IUPAC Name: 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
• SMILES: COc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1OC(F)(F)C(F)(F)c1ccccc1C
• InChI: InChI=1S/C24H18F6N2O4/c1-13-6-3-4-7-15(13)23(27,28)24(29,30)36-18-11-10-14(12-19(18)35-2)31-22(34)32-21(33)20-16(25)8-5-9-17(20)26/h3-12H,1-2H3,(H2,31,32,33,34)
• InChIKey: CSWUTJDNQDPOQJ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.41
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
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 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide (CID 14100481) is 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide is COc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1OC(F)(F)C(F)(F)c1ccccc1C.

What is the InChIKey of 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide?

The InChIKey is CSWUTJDNQDPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6N2O4/c1-13-6-3-4-7-15(13)23(27,28)24(29,30)36-18-11-10-14(12-19(18)35-2)31-22(34)32-21(33)20-16(25)8-5-9-17(20)26/h3-12H,1-2H3,(H2,31,32,33,34).

What are the key properties of 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide?

2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide has a molecular weight of 512.41 g/mol, XLogP of 6.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 14100481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).