1-[(3-chlorophenyl)methyl]-2,3-dihydroindole

C15H14ClN — CID 15379874

IUPAC1-[(3-chlorophenyl)methyl]-2,3-dihydroindole
SMILESClc1cccc(CN2CCc3ccccc32)c1
InChIInChI=1S/C15H14ClN/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-7,10H,8-9,11H2
InChIKeyMOGYFLVLQDYNNW-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.90
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole

1-[(3-chlorophenyl)methyl]-2,3-dihydroindole (PubChem CID 15379874) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2,3-dihydroindole
PubChem CID15379874
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name1-[(3-chlorophenyl)methyl]-2,3-dihydroindole
SMILESClc1cccc(CN2CCc3ccccc32)c1
InChIInChI=1S/C15H14ClN/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-7,10H,8-9,11H2
InChIKeyMOGYFLVLQDYNNW-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole (CID 15379874) is 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole is Clc1cccc(CN2CCc3ccccc32)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole?
The InChIKey is MOGYFLVLQDYNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-14-6-3-4-12(10-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-7,10H,8-9,11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole?
1-[(3-chlorophenyl)methyl]-2,3-dihydroindole has a molecular weight of 243.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 15379874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).