3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione

C19H13BrN2O2 — CID 11596060

IUPAC3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN1C(=O)C(Br)=C(c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C19H13BrN2O2/c1-22-18(23)15(16(20)19(22)24)14-12-9-5-6-10-13(12)21-17(14)11-7-3-2-4-8-11/h2-10,21H,1H3
InChIKeyAFJSONLQZCLYQC-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.94
Rot. Bonds2

About 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione

3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 11596060) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID11596060
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN1C(=O)C(Br)=C(c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C19H13BrN2O2/c1-22-18(23)15(16(20)19(22)24)14-12-9-5-6-10-13(12)21-17(14)11-7-3-2-4-8-11/h2-10,21H,1H3
InChIKeyAFJSONLQZCLYQC-UHFFFAOYSA-N
XLogP3.94
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione
CID 24813898
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
1-methyl-3-(2-methyl-1H-indol-3-yl)-4-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]pyrrole-2,5-dione
CID 70195646
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11522357
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
CID 102042854
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
CID 171393922
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
4,37-dimethyl-1,4,14,27,37,40,43,49-octazanonacyclo[47.2.2.240,43.02,6.07,15.08,13.026,34.028,33.035,39]pentapentaconta-2(6),7(15),8,10,12,26(34),28,30,32,35(39)-decaene-3,5,36,38-tetrone
CID 22645669
3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 52943486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 11596060) is 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione is CN1C(=O)C(Br)=C(c2c(-c3ccccc3)[nH]c3ccccc23)C1=O.
What is the InChIKey of 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is AFJSONLQZCLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c1-22-18(23)15(16(20)19(22)24)14-12-9-5-6-10-13(12)21-17(14)11-7-3-2-4-8-11/h2-10,21H,1H3.
What are the key properties of 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 381.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11596060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).