2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione

C16H12ClNO2 — CID 101386514

IUPAC2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione
SMILESC[C@H](c1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10H,1H3/t10-/m1/s1
InChIKeyOFIFVMDFVVYJBJ-SNVBAGLBSA-N
MW285.73 g/mol
LogP3.70
Rot. Bonds2

About 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione

2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione (PubChem CID 101386514) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione
PubChem CID101386514
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione
SMILESC[C@H](c1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10H,1H3/t10-/m1/s1
InChIKeyOFIFVMDFVVYJBJ-SNVBAGLBSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione (CID 101386514) is 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione is C[C@H](c1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione?
The InChIKey is OFIFVMDFVVYJBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10H,1H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione?
2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione has a molecular weight of 285.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 101386514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).