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

C22H19FN2O6 — CID 2955020

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

2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 2955020) has the molecular formula C22H19FN2O6 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• PubChem CID: 2955020
• Molecular Formula: C22H19FN2O6
• Molecular Weight: 426.40 g/mol
• Exact Mass: 426.12
• IUPAC Name: 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• SMILES: COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(OCC(N)=O)cc1
• InChI: InChI=1S/C22H19FN2O6/c1-29-9-8-25-19(12-2-5-14(6-3-12)30-11-17(24)26)18-20(27)15-10-13(23)4-7-16(15)31-21(18)22(25)28/h2-7,10,19H,8-9,11H2,1H3,(H2,24,26)
• InChIKey: YERHCTYINIWIIC-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 112.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.40
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 2955020) is 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

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

The canonical SMILES for 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(OCC(N)=O)cc1.

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

The InChIKey is YERHCTYINIWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O6/c1-29-9-8-25-19(12-2-5-14(6-3-12)30-11-17(24)26)18-20(27)15-10-13(23)4-7-16(15)31-21(18)22(25)28/h2-7,10,19H,8-9,11H2,1H3,(H2,24,26).

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

2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 426.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 2955020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).