2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione

C15H9ClFNO2 — CID 893580

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-12-6-3-7-13(17)11(12)8-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2
InChIKeyMZJSCHLGZNNBEL-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.28
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione

2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 893580) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID893580
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-12-6-3-7-13(17)11(12)8-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2
InChIKeyMZJSCHLGZNNBEL-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
2-Benzylisoindolin-1-one
CID 1485883
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
2-Benzoyl-1H-isoindole-1,3(2H)-dione
CID 97623
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
N-(3-Phenylallyl)phthalimide
CID 5389074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione (CID 893580) is 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is MZJSCHLGZNNBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-12-6-3-7-13(17)11(12)8-18-14(19)9-4-1-2-5-10(9)15(18)20/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione?
2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 289.69 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 893580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).