1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20FNO5 — CID 3710555

IUPAC1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C22H20FNO5/c1-3-28-15-7-4-13(5-8-15)19-18-20(25)16-12-14(23)6-9-17(16)29-21(18)22(26)24(19)10-11-27-2/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyLITUSJCEQYJDRE-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3710555) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3710555
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C22H20FNO5/c1-3-28-15-7-4-13(5-8-15)19-18-20(25)16-12-14(23)6-9-17(16)29-21(18)22(26)24(19)10-11-27-2/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyLITUSJCEQYJDRE-UHFFFAOYSA-N
XLogP3.52
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3710555) is 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCOC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LITUSJCEQYJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-3-28-15-7-4-13(5-8-15)19-18-20(25)16-12-14(23)6-9-17(16)29-21(18)22(26)24(19)10-11-27-2/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 397.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-7-fluoro-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3710555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).