1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione

C17H14ClNO2 — CID 61354793

IUPAC1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(Cc1ccccc1Cl)C(=O)C2=O
InChIInChI=1S/C17H14ClNO2/c1-10-7-11(2)15-14(8-10)19(17(21)16(15)20)9-12-5-3-4-6-13(12)18/h3-8H,9H2,1-2H3
InChIKeyCMSDPHPHRWHISS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.69
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione

1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione (PubChem CID 61354793) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
PubChem CID61354793
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(Cc1ccccc1Cl)C(=O)C2=O
InChIInChI=1S/C17H14ClNO2/c1-10-7-11(2)15-14(8-10)19(17(21)16(15)20)9-12-5-3-4-6-13(12)18/h3-8H,9H2,1-2H3
InChIKeyCMSDPHPHRWHISS-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione (CID 61354793) is 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione is Cc1cc(C)c2c(c1)N(Cc1ccccc1Cl)C(=O)C2=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione?
The InChIKey is CMSDPHPHRWHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-7-11(2)15-14(8-10)19(17(21)16(15)20)9-12-5-3-4-6-13(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione?
1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione has a molecular weight of 299.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione is sourced from PubChem (CID 61354793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).