2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid

C23H19F9N4O5 — CID 126613766

About 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid

2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid (PubChem CID 126613766) has the molecular formula C23H19F9N4O5 and a molecular weight of 602.41 g/mol. Its IUPAC name is 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid.

Molecular Properties

• Compound Name: 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid
• PubChem CID: 126613766
• Molecular Formula: C23H19F9N4O5
• Molecular Weight: 602.41 g/mol
• Exact Mass: 602.12
• IUPAC Name: 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid
• SMILES: N#Cc1ccc(N2C[C@@H](COc3ccc(NC(=O)C(N)(F)F)cc3)O[C@@H]2C(F)(F)F)cc1C(F)(F)F.O=C(O)CF
• InChI: InChI=1S/C21H16F8N4O3.C2H3FO2/c22-19(23,24)16-7-13(4-1-11(16)8-30)33-9-15(36-18(33)20(25,26)27)10-35-14-5-2-12(3-6-14)32-17(34)21(28,29)31;3-1-2(4)5/h1-7,15,18H,9-10,31H2,(H,32,34);1H2,(H,4,5)/t15-,18+;/m0./s1
• InChIKey: LACMFVIMOLKDBY-QVNYQEOOSA-N
• XLogP: 4.28
• TPSA: 137.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.41
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid?

The IUPAC name of 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid (CID 126613766) is 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid.

What is the SMILES notation for 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid?

The canonical SMILES for 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid is N#Cc1ccc(N2C[C@@H](COc3ccc(NC(=O)C(N)(F)F)cc3)O[C@@H]2C(F)(F)F)cc1C(F)(F)F.O=C(O)CF.

What is the InChIKey of 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid?

The InChIKey is LACMFVIMOLKDBY-QVNYQEOOSA-N. The full InChI is InChI=1S/C21H16F8N4O3.C2H3FO2/c22-19(23,24)16-7-13(4-1-11(16)8-30)33-9-15(36-18(33)20(25,26)27)10-35-14-5-2-12(3-6-14)32-17(34)21(28,29)31;3-1-2(4)5/h1-7,15,18H,9-10,31H2,(H,32,34);1H2,(H,4,5)/t15-,18+;/m0./s1.

What are the key properties of 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid?

2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid has a molecular weight of 602.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid is sourced from PubChem (CID 126613766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).