2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione

C16H11ClFNO3 — CID 71032330

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione
SMILESCc1c(O)ccc2c1C(=O)N(Cc1cccc(Cl)c1F)C2=O
InChIInChI=1S/C16H11ClFNO3/c1-8-12(20)6-5-10-13(8)16(22)19(15(10)21)7-9-3-2-4-11(17)14(9)18/h2-6,20H,7H2,1H3
InChIKeyABSWAUXQSIIFFI-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.29
Rot. Bonds2

About 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione

2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione (PubChem CID 71032330) has the molecular formula C16H11ClFNO3 and a molecular weight of 319.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione
PubChem CID71032330
Molecular FormulaC16H11ClFNO3
Molecular Weight319.72 g/mol
Exact Mass319.04
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione
SMILESCc1c(O)ccc2c1C(=O)N(Cc1cccc(Cl)c1F)C2=O
InChIInChI=1S/C16H11ClFNO3/c1-8-12(20)6-5-10-13(8)16(22)19(15(10)21)7-9-3-2-4-11(17)14(9)18/h2-6,20H,7H2,1H3
InChIKeyABSWAUXQSIIFFI-UHFFFAOYSA-N
XLogP3.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione (CID 71032330) is 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione is Cc1c(O)ccc2c1C(=O)N(Cc1cccc(Cl)c1F)C2=O.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione?
The InChIKey is ABSWAUXQSIIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO3/c1-8-12(20)6-5-10-13(8)16(22)19(15(10)21)7-9-3-2-4-11(17)14(9)18/h2-6,20H,7H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione?
2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione has a molecular weight of 319.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-5-hydroxy-4-methylisoindole-1,3-dione is sourced from PubChem (CID 71032330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).