1-[(4-chloroanilino)methyl]indole-2,3-dione

C15H11ClN2O2 — CID 2147394

IUPAC1-[(4-chloroanilino)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CNc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2
InChIKeyWHPTVTWMXGFSRJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.94
Rot. Bonds3

About 1-[(4-chloroanilino)methyl]indole-2,3-dione

1-[(4-chloroanilino)methyl]indole-2,3-dione (PubChem CID 2147394) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-[(4-chloroanilino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-chloroanilino)methyl]indole-2,3-dione
PubChem CID2147394
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name1-[(4-chloroanilino)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CNc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2
InChIKeyWHPTVTWMXGFSRJ-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloroanilino)methyl]indole-2,3-dione?
The IUPAC name of 1-[(4-chloroanilino)methyl]indole-2,3-dione (CID 2147394) is 1-[(4-chloroanilino)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(4-chloroanilino)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(4-chloroanilino)methyl]indole-2,3-dione is O=C1C(=O)N(CNc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-chloroanilino)methyl]indole-2,3-dione?
The InChIKey is WHPTVTWMXGFSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2.
What are the key properties of 1-[(4-chloroanilino)methyl]indole-2,3-dione?
1-[(4-chloroanilino)methyl]indole-2,3-dione has a molecular weight of 286.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloroanilino)methyl]indole-2,3-dione is sourced from PubChem (CID 2147394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).