2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate

C22H16F4N2O4 — CID 58138996

About 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate

2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate (PubChem CID 58138996) has the molecular formula C22H16F4N2O4 and a molecular weight of 448.37 g/mol. Its IUPAC name is 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate.

Molecular Properties

• Compound Name: 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate
• PubChem CID: 58138996
• Molecular Formula: C22H16F4N2O4
• Molecular Weight: 448.37 g/mol
• Exact Mass: 448.10
• IUPAC Name: 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate
• SMILES: CC(=O)OCCc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1
• InChI: InChI=1S/C22H16F4N2O4/c1-11(29)32-7-6-12-8-17(25)20(18(26)9-12)28-19(30)5-4-15(22(28)27)21(31)14-3-2-13(23)10-16(14)24/h2-5,8-10H,6-7,27H2,1H3
• InChIKey: QERUYQWQEDDBOE-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 91.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.37
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate?

The IUPAC name of 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate (CID 58138996) is 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate.

What is the SMILES notation for 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate?

The canonical SMILES for 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate is CC(=O)OCCc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1.

What is the InChIKey of 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate?

The InChIKey is QERUYQWQEDDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O4/c1-11(29)32-7-6-12-8-17(25)20(18(26)9-12)28-19(30)5-4-15(22(28)27)21(31)14-3-2-13(23)10-16(14)24/h2-5,8-10H,6-7,27H2,1H3.

What are the key properties of 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate?

2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate has a molecular weight of 448.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate is sourced from PubChem (CID 58138996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).