2-(4-methoxyanilino)-3H-isoindol-1-one

C15H14N2O2 — CID 141295142

IUPAC2-(4-methoxyanilino)-3H-isoindol-1-one
SMILESCOc1ccc(NN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-13-8-6-12(7-9-13)16-17-10-11-4-2-3-5-14(11)15(17)18/h2-9,16H,10H2,1H3
InChIKeyNDFVFKSXLXXCFQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-methoxyanilino)-3H-isoindol-1-one

2-(4-methoxyanilino)-3H-isoindol-1-one (PubChem CID 141295142) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3H-isoindol-1-one
PubChem CID141295142
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(4-methoxyanilino)-3H-isoindol-1-one
SMILESCOc1ccc(NN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-13-8-6-12(7-9-13)16-17-10-11-4-2-3-5-14(11)15(17)18/h2-9,16H,10H2,1H3
InChIKeyNDFVFKSXLXXCFQ-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3H-isoindol-1-one?
The IUPAC name of 2-(4-methoxyanilino)-3H-isoindol-1-one (CID 141295142) is 2-(4-methoxyanilino)-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-methoxyanilino)-3H-isoindol-1-one?
The canonical SMILES for 2-(4-methoxyanilino)-3H-isoindol-1-one is COc1ccc(NN2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3H-isoindol-1-one?
The InChIKey is NDFVFKSXLXXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-8-6-12(7-9-13)16-17-10-11-4-2-3-5-14(11)15(17)18/h2-9,16H,10H2,1H3.
What are the key properties of 2-(4-methoxyanilino)-3H-isoindol-1-one?
2-(4-methoxyanilino)-3H-isoindol-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3H-isoindol-1-one is sourced from PubChem (CID 141295142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).