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

C25H18BrNO3 — CID 5091546

IUPAC1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1CCc1ccccc1
InChIInChI=1S/C25H18BrNO3/c26-18-10-6-9-17(15-18)22-21-23(28)19-11-4-5-12-20(19)30-24(21)25(29)27(22)14-13-16-7-2-1-3-8-16/h1-12,15,22H,13-14H2
InChIKeyIXXGUCJHSCLAFK-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.34
Rot. Bonds4

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

1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5091546) has the molecular formula C25H18BrNO3 and a molecular weight of 460.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5091546
Molecular FormulaC25H18BrNO3
Molecular Weight460.33 g/mol
Exact Mass459.05
IUPAC Name1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1CCc1ccccc1
InChIInChI=1S/C25H18BrNO3/c26-18-10-6-9-17(15-18)22-21-23(28)19-11-4-5-12-20(19)30-24(21)25(29)27(22)14-13-16-7-2-1-3-8-16/h1-12,15,22H,13-14H2
InChIKeyIXXGUCJHSCLAFK-UHFFFAOYSA-N
XLogP5.34
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.34
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
(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741307
2-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3395784
1-(4-methoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3264262
(1R)-1-(4-methylsulfanylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314450
(1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002519
1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706816
2-benzyl-1-(3-bromophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3666502
2-benzyl-1-(3-bromophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810753
7-bromo-1-(2-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4585678
(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011902
1-(3-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4667186

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5091546) is 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1CCc1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IXXGUCJHSCLAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO3/c26-18-10-6-9-17(15-18)22-21-23(28)19-11-4-5-12-20(19)30-24(21)25(29)27(22)14-13-16-7-2-1-3-8-16/h1-12,15,22H,13-14H2.
What are the key properties of 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 460.33 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5091546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).