1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole

C16H15Cl2N — CID 162507701

IUPAC1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole
SMILESCC1c2ccccc2N(c2cccc(Cl)c2Cl)C1C
InChIInChI=1S/C16H15Cl2N/c1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18/h3-11H,1-2H3
InChIKeyIAGCNEDNCIKJEU-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.64
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole

1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole (PubChem CID 162507701) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole
PubChem CID162507701
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole
SMILESCC1c2ccccc2N(c2cccc(Cl)c2Cl)C1C
InChIInChI=1S/C16H15Cl2N/c1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18/h3-11H,1-2H3
InChIKeyIAGCNEDNCIKJEU-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole?
The IUPAC name of 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole (CID 162507701) is 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole is CC1c2ccccc2N(c2cccc(Cl)c2Cl)C1C.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole?
The InChIKey is IAGCNEDNCIKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18/h3-11H,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole?
1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole has a molecular weight of 292.21 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 162507701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).