7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole

C15H14ClN — CID 84737224

IUPAC7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1cccc(C2NCc3cccc(Cl)c32)c1
InChIInChI=1S/C15H14ClN/c1-10-4-2-5-11(8-10)15-14-12(9-17-15)6-3-7-13(14)16/h2-8,15,17H,9H2,1H3
InChIKeyMRKRATWBEBKPKI-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.84
Rot. Bonds1

About 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole

7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 84737224) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID84737224
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1cccc(C2NCc3cccc(Cl)c32)c1
InChIInChI=1S/C15H14ClN/c1-10-4-2-5-11(8-10)15-14-12(9-17-15)6-3-7-13(14)16/h2-8,15,17H,9H2,1H3
InChIKeyMRKRATWBEBKPKI-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole (CID 84737224) is 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole is Cc1cccc(C2NCc3cccc(Cl)c32)c1.
What is the InChIKey of 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is MRKRATWBEBKPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c1-10-4-2-5-11(8-10)15-14-12(9-17-15)6-3-7-13(14)16/h2-8,15,17H,9H2,1H3.
What are the key properties of 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 243.74 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84737224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).