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

C28H23ClN2O6 — CID 18820284

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

2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 18820284) has the molecular formula C28H23ClN2O6 and a molecular weight of 518.95 g/mol. Its IUPAC name is 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• PubChem CID: 18820284
• Molecular Formula: C28H23ClN2O6
• Molecular Weight: 518.95 g/mol
• Exact Mass: 518.12
• IUPAC Name: 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• SMILES: COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(OCC(N)=O)cc2)cc1
• InChI: InChI=1S/C28H23ClN2O6/c1-35-19-7-2-16(3-8-19)12-13-31-25(17-4-9-20(10-5-17)36-15-23(30)32)24-26(33)21-14-18(29)6-11-22(21)37-27(24)28(31)34/h2-11,14,25H,12-13,15H2,1H3,(H2,30,32)
• InChIKey: XSEZXENUOMHINI-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 112.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.95
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 18820284) is 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

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

The canonical SMILES for 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(OCC(N)=O)cc2)cc1.

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

The InChIKey is XSEZXENUOMHINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O6/c1-35-19-7-2-16(3-8-19)12-13-31-25(17-4-9-20(10-5-17)36-15-23(30)32)24-26(33)21-14-18(29)6-11-22(21)37-27(24)28(31)34/h2-11,14,25H,12-13,15H2,1H3,(H2,30,32).

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

2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 518.95 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-chloro-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 18820284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).