5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one

C20H14F2N2O — CID 11984574

IUPAC5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one
SMILESO=C1c2ccc(Nc3ccc(F)cc3F)cc2CN1c1ccccc1
InChIInChI=1S/C20H14F2N2O/c21-14-6-9-19(18(22)11-14)23-15-7-8-17-13(10-15)12-24(20(17)25)16-4-2-1-3-5-16/h1-11,23H,12H2
InChIKeyZTDQLFPCCJPCAE-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.87
Rot. Bonds3

About 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one

5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one (PubChem CID 11984574) has the molecular formula C20H14F2N2O and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one
PubChem CID11984574
Molecular FormulaC20H14F2N2O
Molecular Weight336.34 g/mol
Exact Mass336.11
IUPAC Name5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one
SMILESO=C1c2ccc(Nc3ccc(F)cc3F)cc2CN1c1ccccc1
InChIInChI=1S/C20H14F2N2O/c21-14-6-9-19(18(22)11-14)23-15-7-8-17-13(10-15)12-24(20(17)25)16-4-2-1-3-5-16/h1-11,23H,12H2
InChIKeyZTDQLFPCCJPCAE-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one?
The IUPAC name of 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one (CID 11984574) is 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one?
The canonical SMILES for 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one is O=C1c2ccc(Nc3ccc(F)cc3F)cc2CN1c1ccccc1.
What is the InChIKey of 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one?
The InChIKey is ZTDQLFPCCJPCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O/c21-14-6-9-19(18(22)11-14)23-15-7-8-17-13(10-15)12-24(20(17)25)16-4-2-1-3-5-16/h1-11,23H,12H2.
What are the key properties of 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one?
5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one has a molecular weight of 336.34 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-2-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 11984574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).