4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C22H19FN2O5 — CID 46616531

About 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 46616531) has the molecular formula C22H19FN2O5 and a molecular weight of 410.40 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 46616531
• Molecular Formula: C22H19FN2O5
• Molecular Weight: 410.40 g/mol
• Exact Mass: 410.13
• IUPAC Name: 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CNC(=O)C1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)c2ccccc2O1
• InChI: InChI=1S/C22H19FN2O5/c1-24-21(26)20-12-25(17-4-2-3-5-18(17)30-20)22(27)19-11-10-16(29-19)13-28-15-8-6-14(23)7-9-15/h2-11,20H,12-13H2,1H3,(H,24,26)
• InChIKey: ZAQQEUSFORTZBE-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.40
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 46616531) is 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)c2ccccc2O1.

What is the InChIKey of 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is ZAQQEUSFORTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O5/c1-24-21(26)20-12-25(17-4-2-3-5-18(17)30-20)22(27)19-11-10-16(29-19)13-28-15-8-6-14(23)7-9-15/h2-11,20H,12-13H2,1H3,(H,24,26).

What are the key properties of 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 46616531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).