N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H25BrFN3O3 — CID 173264406

About N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 173264406) has the molecular formula C23H25BrFN3O3 and a molecular weight of 490.37 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 173264406
• Molecular Formula: C23H25BrFN3O3
• Molecular Weight: 490.37 g/mol
• Exact Mass: 489.11
• IUPAC Name: N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C=C(Br)c3cccc(CN(C)C)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C23H25BrFN3O3/c1-15(29)26-12-20-14-28(23(30)31-20)19-8-7-18(22(25)11-19)10-21(24)17-6-4-5-16(9-17)13-27(2)3/h4-11,20H,12-14H2,1-3H3,(H,26,29)/t20-/m0/s1
• InChIKey: SIVAJXMFKPSTHB-FQEVSTJZSA-N
• XLogP: 4.24
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.37
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 173264406) is N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C=C(Br)c3cccc(CN(C)C)c3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is SIVAJXMFKPSTHB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25BrFN3O3/c1-15(29)26-12-20-14-28(23(30)31-20)19-8-7-18(22(25)11-19)10-21(24)17-6-4-5-16(9-17)13-27(2)3/h4-11,20H,12-14H2,1-3H3,(H,26,29)/t20-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 490.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[2-bromo-2-[3-[(dimethylamino)methyl]phenyl]ethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 173264406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).