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

C25H17BrFNO4 — CID 18854506

IUPAC7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H17BrFNO4/c1-2-31-18-10-3-14(4-11-18)22-21-23(29)19-13-15(26)5-12-20(19)32-24(21)25(30)28(22)17-8-6-16(27)7-9-17/h3-13,22H,2H2,1H3
InChIKeyZLXVKEAWNABVDF-UHFFFAOYSA-N
MW494.32 g/mol
LogP5.84
Rot. Bonds4

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

7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854506) has the molecular formula C25H17BrFNO4 and a molecular weight of 494.32 g/mol. Its IUPAC name is 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854506
Molecular FormulaC25H17BrFNO4
Molecular Weight494.32 g/mol
Exact Mass493.03
IUPAC Name7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C25H17BrFNO4/c1-2-31-18-10-3-14(4-11-18)22-21-23(29)19-13-15(26)5-12-20(19)32-24(21)25(30)28(22)17-8-6-16(27)7-9-17/h3-13,22H,2H2,1H3
InChIKeyZLXVKEAWNABVDF-UHFFFAOYSA-N
XLogP5.84
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854506) is 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZLXVKEAWNABVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrFNO4/c1-2-31-18-10-3-14(4-11-18)22-21-23(29)19-13-15(26)5-12-20(19)32-24(21)25(30)28(22)17-8-6-16(27)7-9-17/h3-13,22H,2H2,1H3.
What are the key properties of 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 494.32 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).