3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C19H13BrN2O2 — CID 5327708

IUPAC3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H13BrN2O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,1H3,(H,21,23,24)
InChIKeyKDOTZTCOVSLYKO-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.51
Rot. Bonds2

About 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327708) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327708
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H13BrN2O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,1H3,(H,21,23,24)
InChIKeyKDOTZTCOVSLYKO-UHFFFAOYSA-N
XLogP3.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327708) is 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is KDOTZTCOVSLYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,1H3,(H,21,23,24).
What are the key properties of 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 381.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).