N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C24H20F8N2O3 — CID 176941612

About N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 176941612) has the molecular formula C24H20F8N2O3 and a molecular weight of 536.42 g/mol. Its IUPAC name is N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

• Compound Name: N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
• PubChem CID: 176941612
• Molecular Formula: C24H20F8N2O3
• Molecular Weight: 536.42 g/mol
• Exact Mass: 536.13
• IUPAC Name: N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
• SMILES: Cc1cc2c(c(F)c1NC(=O)CC1(C(F)(F)F)CC1)OC(C)C(=O)N2Cc1ccc(C(F)(F)F)c(F)c1
• InChI: InChI=1S/C24H20F8N2O3/c1-11-7-16-20(18(26)19(11)33-17(35)9-22(5-6-22)24(30,31)32)37-12(2)21(36)34(16)10-13-3-4-14(15(25)8-13)23(27,28)29/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,33,35)
• InChIKey: QRZOFVMKOQZZAG-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.42
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?

The IUPAC name of N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 176941612) is N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

What is the SMILES notation for N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?

The canonical SMILES for N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1cc2c(c(F)c1NC(=O)CC1(C(F)(F)F)CC1)OC(C)C(=O)N2Cc1ccc(C(F)(F)F)c(F)c1.

What is the InChIKey of N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?

The InChIKey is QRZOFVMKOQZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F8N2O3/c1-11-7-16-20(18(26)19(11)33-17(35)9-22(5-6-22)24(30,31)32)37-12(2)21(36)34(16)10-13-3-4-14(15(25)8-13)23(27,28)29/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,33,35).

What are the key properties of N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?

N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 536.42 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-fluoro-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 176941612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).