3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione

C18H13ClN2O2 — CID 6539519

IUPAC3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(N2CCc3ccccc32)=C1c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O2/c19-13-6-3-5-12(10-13)15-16(18(23)20-17(15)22)21-9-8-11-4-1-2-7-14(11)21/h1-7,10H,8-9H2,(H,20,22,23)
InChIKeySTWYGLPNRVNBTD-UHFFFAOYSA-N
MW324.77 g/mol
LogP2.77
Rot. Bonds2

About 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione

3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione (PubChem CID 6539519) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione
PubChem CID6539519
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(N2CCc3ccccc32)=C1c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O2/c19-13-6-3-5-12(10-13)15-16(18(23)20-17(15)22)21-9-8-11-4-1-2-7-14(11)21/h1-7,10H,8-9H2,(H,20,22,23)
InChIKeySTWYGLPNRVNBTD-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 52.77
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-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione (CID 6539519) is 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione is O=C1NC(=O)C(N2CCc3ccccc32)=C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione?
The InChIKey is STWYGLPNRVNBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-13-6-3-5-12(10-13)15-16(18(23)20-17(15)22)21-9-8-11-4-1-2-7-14(11)21/h1-7,10H,8-9H2,(H,20,22,23).
What are the key properties of 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione?
3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione has a molecular weight of 324.77 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(2,3-dihydroindol-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 6539519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).