2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C26H18F2N2O5 — CID 18810439

About 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 18810439) has the molecular formula C26H18F2N2O5 and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• PubChem CID: 18810439
• Molecular Formula: C26H18F2N2O5
• Molecular Weight: 476.44 g/mol
• Exact Mass: 476.12
• IUPAC Name: 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• SMILES: NC(=O)COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1
• InChI: InChI=1S/C26H18F2N2O5/c27-16-5-1-14(2-6-16)12-30-23(15-3-8-18(9-4-15)34-13-21(29)31)22-24(32)19-11-17(28)7-10-20(19)35-25(22)26(30)33/h1-11,23H,12-13H2,(H2,29,31)
• InChIKey: NNJQEZFROGQVSX-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 102.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.44
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The IUPAC name of 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 18810439) is 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

What is the SMILES notation for 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The canonical SMILES for 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is NC(=O)COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1.

What is the InChIKey of 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The InChIKey is NNJQEZFROGQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N2O5/c27-16-5-1-14(2-6-16)12-30-23(15-3-8-18(9-4-15)34-13-21(29)31)22-24(32)19-11-17(28)7-10-20(19)35-25(22)26(30)33/h1-11,23H,12-13H2,(H2,29,31).

What are the key properties of 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 476.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-fluoro-2-[(4-fluorophenyl)methyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 18810439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).