N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C21H23F2N3O4 — CID 91024308

About N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 91024308) has the molecular formula C21H23F2N3O4 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
• PubChem CID: 91024308
• Molecular Formula: C21H23F2N3O4
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.17
• IUPAC Name: N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
• SMILES: C=CCc1c(N2CC(CNC(=O)CC)OC2=O)cc(F)c(N2C=CC(=O)CC2)c1F
• InChI: InChI=1S/C21H23F2N3O4/c1-3-5-15-17(26-12-14(30-21(26)29)11-24-18(28)4-2)10-16(22)20(19(15)23)25-8-6-13(27)7-9-25/h3,6,8,10,14H,1,4-5,7,9,11-12H2,2H3,(H,24,28)
• InChIKey: STEPTBWHTAMUJQ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?

The IUPAC name of N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 91024308) is N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

What is the SMILES notation for N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?

The canonical SMILES for N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is C=CCc1c(N2CC(CNC(=O)CC)OC2=O)cc(F)c(N2C=CC(=O)CC2)c1F.

What is the InChIKey of N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?

The InChIKey is STEPTBWHTAMUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O4/c1-3-5-15-17(26-12-14(30-21(26)29)11-24-18(28)4-2)10-16(22)20(19(15)23)25-8-6-13(27)7-9-25/h3,6,8,10,14H,1,4-5,7,9,11-12H2,2H3,(H,24,28).

What are the key properties of N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?

N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 419.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 91024308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).