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

C25H18FNO4 — CID 18855314

IUPAC2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2)cc1
InChIInChI=1S/C25H18FNO4/c1-2-30-18-11-9-17(10-12-18)27-22(15-6-4-3-5-7-15)21-23(28)19-14-16(26)8-13-20(19)31-24(21)25(27)29/h3-14,22H,2H2,1H3
InChIKeyDHOWQVCPJVQAPI-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.08
Rot. Bonds4

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

2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855314) has the molecular formula C25H18FNO4 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855314
Molecular FormulaC25H18FNO4
Molecular Weight415.42 g/mol
Exact Mass415.12
IUPAC Name2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2)cc1
InChIInChI=1S/C25H18FNO4/c1-2-30-18-11-9-17(10-12-18)27-22(15-6-4-3-5-7-15)21-23(28)19-14-16(26)8-13-20(19)31-24(21)25(27)29/h3-14,22H,2H2,1H3
InChIKeyDHOWQVCPJVQAPI-UHFFFAOYSA-N
XLogP5.08
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855458
2-(4-ethoxyphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857316
2-(4-ethoxyphenyl)-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855872
7-bromo-2-(4-ethoxyphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854307
1-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856070
1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855440
ethyl 4-[1-(4-ethoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855520
7-chloro-1-(4-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853146
2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855752
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856003
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855688

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855314) is 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DHOWQVCPJVQAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO4/c1-2-30-18-11-9-17(10-12-18)27-22(15-6-4-3-5-7-15)21-23(28)19-14-16(26)8-13-20(19)31-24(21)25(27)29/h3-14,22H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.42 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).