6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium

C16H15Cl2NO — CID 174709527

IUPAC6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium
SMILESCc1cc2c(cc1Cl)[N+](C)([O-])CC2c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-10-7-13-14(11-3-5-12(17)6-4-11)9-19(2,20)16(13)8-15(10)18/h3-8,14H,9H2,1-2H3
InChIKeyNWTLNPNXGFPSOR-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.88
Rot. Bonds1

About 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium

6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium (PubChem CID 174709527) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium
PubChem CID174709527
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium
SMILESCc1cc2c(cc1Cl)[N+](C)([O-])CC2c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-10-7-13-14(11-3-5-12(17)6-4-11)9-19(2,20)16(13)8-15(10)18/h3-8,14H,9H2,1-2H3
InChIKeyNWTLNPNXGFPSOR-UHFFFAOYSA-N
XLogP4.88
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium (CID 174709527) is 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium is Cc1cc2c(cc1Cl)[N+](C)([O-])CC2c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium?
The InChIKey is NWTLNPNXGFPSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10-7-13-14(11-3-5-12(17)6-4-11)9-19(2,20)16(13)8-15(10)18/h3-8,14H,9H2,1-2H3.
What are the key properties of 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium?
6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium has a molecular weight of 308.21 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-1,5-dimethyl-1-oxido-2,3-dihydroindol-1-ium is sourced from PubChem (CID 174709527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).