1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole

C15H13BrClN — CID 114061498

IUPAC1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole
SMILESClCc1cc(Br)ccc1N1CCc2ccccc21
InChIInChI=1S/C15H13BrClN/c16-13-5-6-15(12(9-13)10-17)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2
InChIKeyJMLCKGPTCLBACK-UHFFFAOYSA-N
MW322.63 g/mol
LogP4.88
Rot. Bonds2

About 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole

1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole (PubChem CID 114061498) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole
PubChem CID114061498
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole
SMILESClCc1cc(Br)ccc1N1CCc2ccccc21
InChIInChI=1S/C15H13BrClN/c16-13-5-6-15(12(9-13)10-17)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2
InChIKeyJMLCKGPTCLBACK-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
CID 28964405
[2-(2,3-dihydroindol-1-yl)-5-fluorophenyl]methanamine
CID 43313804
5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole
CID 114065374
6-bromo-3-(2,3-dihydroindol-1-yl)thiochromen-4-one
CID 7482676
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-2,3-dihydroindole
CID 83184652
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
1-[2-chloro-4-(chloromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 81152279
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
CID 55027487
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole?
The IUPAC name of 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole (CID 114061498) is 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole is ClCc1cc(Br)ccc1N1CCc2ccccc21.
What is the InChIKey of 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole?
The InChIKey is JMLCKGPTCLBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-13-5-6-15(12(9-13)10-17)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2.
What are the key properties of 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole?
1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole has a molecular weight of 322.63 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole is sourced from PubChem (CID 114061498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).