5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide

C20H24BrFN4O3 — CID 134063038

About 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 134063038) has the molecular formula C20H24BrFN4O3 and a molecular weight of 467.34 g/mol. Its IUPAC name is 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 134063038
• Molecular Formula: C20H24BrFN4O3
• Molecular Weight: 467.34 g/mol
• Exact Mass: 466.10
• IUPAC Name: 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide
• SMILES: CN(CCCC1CC(c2cccc(F)c2)NN1)C(=O)CNC(=O)c1ccc(Br)o1
• InChI: InChI=1S/C20H24BrFN4O3/c1-26(19(27)12-23-20(28)17-7-8-18(21)29-17)9-3-6-15-11-16(25-24-15)13-4-2-5-14(22)10-13/h2,4-5,7-8,10,15-16,24-25H,3,6,9,11-12H2,1H3,(H,23,28)
• InChIKey: MOKCXPMZNCZFBM-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 86.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.34
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide (CID 134063038) is 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide is CN(CCCC1CC(c2cccc(F)c2)NN1)C(=O)CNC(=O)c1ccc(Br)o1.

What is the InChIKey of 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is MOKCXPMZNCZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN4O3/c1-26(19(27)12-23-20(28)17-7-8-18(21)29-17)9-3-6-15-11-16(25-24-15)13-4-2-5-14(22)10-13/h2,4-5,7-8,10,15-16,24-25H,3,6,9,11-12H2,1H3,(H,23,28).

What are the key properties of 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 467.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 134063038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).