5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide

C21H24BrNO4 — CID 102557908

About 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide (PubChem CID 102557908) has the molecular formula C21H24BrNO4 and a molecular weight of 434.33 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide
• PubChem CID: 102557908
• Molecular Formula: C21H24BrNO4
• Molecular Weight: 434.33 g/mol
• Exact Mass: 433.09
• IUPAC Name: 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide
• SMILES: CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1C2CCOC2C1(C)C
• InChI: InChI=1S/C21H24BrNO4/c1-21(2)18(16-10-11-25-19(16)21)23(3)20(24)17-9-8-15(27-17)12-26-14-6-4-13(22)5-7-14/h4-9,16,18-19H,10-12H2,1-3H3
• InChIKey: ZMGGWKNGKORATN-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.33
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide?

The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide (CID 102557908) is 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide.

What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide?

The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)C1C2CCOC2C1(C)C.

What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide?

The InChIKey is ZMGGWKNGKORATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO4/c1-21(2)18(16-10-11-25-19(16)21)23(3)20(24)17-9-8-15(27-17)12-26-14-6-4-13(22)5-7-14/h4-9,16,18-19H,10-12H2,1-3H3.

What are the key properties of 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide?

5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 102557908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).