N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

C₁₃H₁₇BrN₂O₂ — CID 66265081

About N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265081) has the molecular formula C₁₃H₁₇BrN₂O₂ and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
• PubChem CID: 66265081
• Molecular Formula: C₁₃H₁₇BrN₂O₂
• Molecular Weight: 313.20 g/mol
• Exact Mass: 312.05
• IUPAC Name: N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
• SMILES: CNC1COCC1C(=O)Nc1ccc(C)c(Br)c1
• InChI: InChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)
• InChIKey: UXCLAMGAICABET-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.20
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?

The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66265081) is N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.

What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?

The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(C)c(Br)c1.

What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?

The InChIKey is UXCLAMGAICABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17).

What are the key properties of N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?

N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66265081 — identifiers, structure, computed properties (public domain)

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