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

C20H15ClN2O3 — CID 46880300

IUPAC3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c1
InChIInChI=1S/C20H15ClN2O3/c1-23-10-15(14-9-12(21)6-7-16(14)23)18-17(19(24)22-20(18)25)11-4-3-5-13(8-11)26-2/h3-10H,1-2H3,(H,22,24,25)
InChIKeyAKGYFGPTGCPJOY-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.41
Rot. Bonds3

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

3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 46880300) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione
PubChem CID46880300
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c1
InChIInChI=1S/C20H15ClN2O3/c1-23-10-15(14-9-12(21)6-7-16(14)23)18-17(19(24)22-20(18)25)11-4-3-5-13(8-11)26-2/h3-10H,1-2H3,(H,22,24,25)
InChIKeyAKGYFGPTGCPJOY-UHFFFAOYSA-N
XLogP3.41
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione (CID 46880300) is 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione is COc1cccc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c1.
What is the InChIKey of 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is AKGYFGPTGCPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-23-10-15(14-9-12(21)6-7-16(14)23)18-17(19(24)22-20(18)25)11-4-3-5-13(8-11)26-2/h3-10H,1-2H3,(H,22,24,25).
What are the key properties of 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 366.80 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylindol-3-yl)-4-(3-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 46880300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).