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

C28H24FNO5 — CID 3633532

IUPAC1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)c1
InChIInChI=1S/C28H24FNO5/c1-3-34-21-6-4-5-18(15-21)25-24-26(31)22-16-19(29)9-12-23(22)35-27(24)28(32)30(25)14-13-17-7-10-20(33-2)11-8-17/h4-12,15-16,25H,3,13-14H2,1-2H3
InChIKeyBWEWVRKKHADGFN-UHFFFAOYSA-N
MW473.50 g/mol
LogP5.13
Rot. Bonds7

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

1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3633532) has the molecular formula C28H24FNO5 and a molecular weight of 473.50 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3633532
Molecular FormulaC28H24FNO5
Molecular Weight473.50 g/mol
Exact Mass473.16
IUPAC Name1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)c1
InChIInChI=1S/C28H24FNO5/c1-3-34-21-6-4-5-18(15-21)25-24-26(31)22-16-19(29)9-12-23(22)35-27(24)28(32)30(25)14-13-17-7-10-20(33-2)11-8-17/h4-12,15-16,25H,3,13-14H2,1-2H3
InChIKeyBWEWVRKKHADGFN-UHFFFAOYSA-N
XLogP5.13
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3633532) is 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BWEWVRKKHADGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO5/c1-3-34-21-6-4-5-18(15-21)25-24-26(31)22-16-19(29)9-12-23(22)35-27(24)28(32)30(25)14-13-17-7-10-20(33-2)11-8-17/h4-12,15-16,25H,3,13-14H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 473.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3633532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).