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

C25H16Cl2FNO4 — CID 18855440

IUPAC1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H16Cl2FNO4/c1-2-32-16-7-5-15(6-8-16)29-22(13-3-9-18(26)19(27)11-13)21-23(30)17-12-14(28)4-10-20(17)33-24(21)25(29)31/h3-12,22H,2H2,1H3
InChIKeyFRUYNYUWYRLPBO-UHFFFAOYSA-N
MW484.31 g/mol
LogP6.39
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855440) has the molecular formula C25H16Cl2FNO4 and a molecular weight of 484.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855440
Molecular FormulaC25H16Cl2FNO4
Molecular Weight484.31 g/mol
Exact Mass483.04
IUPAC Name1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H16Cl2FNO4/c1-2-32-16-7-5-15(6-8-16)29-22(13-3-9-18(26)19(27)11-13)21-23(30)17-12-14(28)4-10-20(17)33-24(21)25(29)31/h3-12,22H,2H2,1H3
InChIKeyFRUYNYUWYRLPBO-UHFFFAOYSA-N
XLogP6.39
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.31
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856070
1-(4-bromophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855458
2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855314
ethyl 4-[1-(4-ethoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855520
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855449
2-(4-ethoxyphenyl)-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855872
2-(3-chloro-4-methoxyphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855533
2-(3-chloro-4-methylphenyl)-7-fluoro-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855694
1-(4-butoxyphenyl)-2-(3-chloro-4-methoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855713
7-chloro-1-(4-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853146
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855440) is 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FRUYNYUWYRLPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2FNO4/c1-2-32-16-7-5-15(6-8-16)29-22(13-3-9-18(26)19(27)11-13)21-23(30)17-12-14(28)4-10-20(17)33-24(21)25(29)31/h3-12,22H,2H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 484.31 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).