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

C25H17BrFNO3 — CID 4706816

IUPAC1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(Br)cc2)N1CCc1ccccc1
InChIInChI=1S/C25H17BrFNO3/c26-17-8-6-16(7-9-17)22-21-23(29)19-14-18(27)10-11-20(19)31-24(21)25(30)28(22)13-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2
InChIKeyWHJJKKKICBMYSE-UHFFFAOYSA-N
MW478.32 g/mol
LogP5.48
Rot. Bonds4

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

1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706816) has the molecular formula C25H17BrFNO3 and a molecular weight of 478.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706816
Molecular FormulaC25H17BrFNO3
Molecular Weight478.32 g/mol
Exact Mass477.04
IUPAC Name1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(Br)cc2)N1CCc1ccccc1
InChIInChI=1S/C25H17BrFNO3/c26-17-8-6-16(7-9-17)22-21-23(29)19-14-18(27)10-11-20(19)31-24(21)25(30)28(22)13-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2
InChIKeyWHJJKKKICBMYSE-UHFFFAOYSA-N
XLogP5.48
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314496
7-bromo-1-(2-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4585678
7-bromo-1-(4-ethoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3767517
(1R)-1-(4-bromophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40954645
3-[(1R)-7-fluoro-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 7196572
1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5091546
7-chloro-1-(4-hydroxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706688
7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4309891
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820673
7-methyl-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3282039
(1R)-1-(4-methylsulfanylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314450

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706816) is 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(Br)cc2)N1CCc1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WHJJKKKICBMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrFNO3/c26-17-8-6-16(7-9-17)22-21-23(29)19-14-18(27)10-11-20(19)31-24(21)25(30)28(22)13-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2.
What are the key properties of 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 478.32 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).