6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole

C11H13Cl2N — CID 141297006

IUPAC6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole
SMILESClCCCc1cc2c(cc1Cl)NCC2
InChIInChI=1S/C11H13Cl2N/c12-4-1-2-8-6-9-3-5-14-11(9)7-10(8)13/h6-7,14H,1-5H2
InChIKeyBXTPRVDRYRDWCW-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.48
Rot. Bonds3

About 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole

6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole (PubChem CID 141297006) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole
PubChem CID141297006
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole
SMILESClCCCc1cc2c(cc1Cl)NCC2
InChIInChI=1S/C11H13Cl2N/c12-4-1-2-8-6-9-3-5-14-11(9)7-10(8)13/h6-7,14H,1-5H2
InChIKeyBXTPRVDRYRDWCW-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole 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-5-(3-chloropropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole (CID 141297006) is 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole is ClCCCc1cc2c(cc1Cl)NCC2.
What is the InChIKey of 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole?
The InChIKey is BXTPRVDRYRDWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-4-1-2-8-6-9-3-5-14-11(9)7-10(8)13/h6-7,14H,1-5H2.
What are the key properties of 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole?
6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole has a molecular weight of 230.14 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3-chloropropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 141297006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).