2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole

C16H15Cl2N — CID 3345458

IUPAC2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C16H15Cl2N/c1-2-10-4-3-5-12-9-15(19-16(10)12)11-6-7-13(17)14(18)8-11/h3-8,15,19H,2,9H2,1H3
InChIKeyWIAZQJVDCWDXQV-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.27
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole

2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole (PubChem CID 3345458) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
PubChem CID3345458
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
SMILESCCc1cccc2c1NC(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C16H15Cl2N/c1-2-10-4-3-5-12-9-15(19-16(10)12)11-6-7-13(17)14(18)8-11/h3-8,15,19H,2,9H2,1H3
InChIKeyWIAZQJVDCWDXQV-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole (CID 3345458) is 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole is CCc1cccc2c1NC(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
The InChIKey is WIAZQJVDCWDXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-2-10-4-3-5-12-9-15(19-16(10)12)11-6-7-13(17)14(18)8-11/h3-8,15,19H,2,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole?
2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole has a molecular weight of 292.21 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-7-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3345458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).