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

C25H14BrCl2NO4 — CID 18854439

IUPAC2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H14BrCl2NO4/c1-12(30)13-2-6-16(7-3-13)29-22(14-4-8-18(27)19(28)10-14)21-23(31)17-11-15(26)5-9-20(17)33-24(21)25(29)32/h2-11,22H,1H3
InChIKeyXYUSZUKTVLAXDX-UHFFFAOYSA-N
MW543.20 g/mol
LogP6.81
Rot. Bonds3

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

2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854439) has the molecular formula C25H14BrCl2NO4 and a molecular weight of 543.20 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854439
Molecular FormulaC25H14BrCl2NO4
Molecular Weight543.20 g/mol
Exact Mass540.95
IUPAC Name2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H14BrCl2NO4/c1-12(30)13-2-6-16(7-3-13)29-22(14-4-8-18(27)19(28)10-14)21-23(31)17-11-15(26)5-9-20(17)33-24(21)25(29)32/h2-11,22H,1H3
InChIKeyXYUSZUKTVLAXDX-UHFFFAOYSA-N
XLogP6.81
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.20
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854436
1-(3,4-dichlorophenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857433
7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854453
(1R)-7-bromo-1-(3,4-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2019152
2-(4-acetylphenyl)-1-(3-chlorophenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855914
7-bromo-1-(3,4-dichlorophenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707220
2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853052
methyl 4-[7-bromo-2-(4-ethylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18854886
7-bromo-2-(4-bromophenyl)-1-(4-tert-butylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854536
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855554
7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854447

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854439) is 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(=O)c1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XYUSZUKTVLAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrCl2NO4/c1-12(30)13-2-6-16(7-3-13)29-22(14-4-8-18(27)19(28)10-14)21-23(31)17-11-15(26)5-9-20(17)33-24(21)25(29)32/h2-11,22H,1H3.
What are the key properties of 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 543.20 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).