N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide

C22H24F4N4O6 — CID 89072884

About N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide

N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide (PubChem CID 89072884) has the molecular formula C22H24F4N4O6 and a molecular weight of 516.45 g/mol. Its IUPAC name is N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide
• PubChem CID: 89072884
• Molecular Formula: C22H24F4N4O6
• Molecular Weight: 516.45 g/mol
• Exact Mass: 516.16
• IUPAC Name: N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide
• SMILES: CCN(CCN(OC)C(=O)c1ccco1)c1c(F)cc(N2C[C@H](CNC(=O)C(F)F)OC2=O)cc1F
• InChI: InChI=1S/C22H24F4N4O6/c1-3-28(6-7-30(34-2)21(32)17-5-4-8-35-17)18-15(23)9-13(10-16(18)24)29-12-14(36-22(29)33)11-27-20(31)19(25)26/h4-5,8-10,14,19H,3,6-7,11-12H2,1-2H3,(H,27,31)/t14-/m0/s1
• InChIKey: TXCPHHPGZFQFGZ-AWEZNQCLSA-N
• XLogP: 2.79
• TPSA: 104.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.45
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide?

The IUPAC name of N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide (CID 89072884) is N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide?

The canonical SMILES for N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide is CCN(CCN(OC)C(=O)c1ccco1)c1c(F)cc(N2C[C@H](CNC(=O)C(F)F)OC2=O)cc1F.

What is the InChIKey of N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide?

The InChIKey is TXCPHHPGZFQFGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24F4N4O6/c1-3-28(6-7-30(34-2)21(32)17-5-4-8-35-17)18-15(23)9-13(10-16(18)24)29-12-14(36-22(29)33)11-27-20(31)19(25)26/h4-5,8-10,14,19H,3,6-7,11-12H2,1-2H3,(H,27,31)/t14-/m0/s1.

What are the key properties of N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide?

N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide has a molecular weight of 516.45 g/mol, XLogP of 2.79, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2,6-difluoroanilino]ethyl]-N-methoxyfuran-2-carboxamide is sourced from PubChem (CID 89072884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).