3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one

C16H16N2O — CID 43189774

IUPAC3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C16H16N2O/c1-10-7-8-13(11(2)9-10)17-15-12-5-3-4-6-14(12)18-16(15)19/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyKQCVECLUJBZROY-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.41
Rot. Bonds2

About 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one

3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one (PubChem CID 43189774) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
PubChem CID43189774
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C16H16N2O/c1-10-7-8-13(11(2)9-10)17-15-12-5-3-4-6-14(12)18-16(15)19/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyKQCVECLUJBZROY-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one (CID 43189774) is 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one is Cc1ccc(NC2C(=O)Nc3ccccc32)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one?
The InChIKey is KQCVECLUJBZROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-7-8-13(11(2)9-10)17-15-12-5-3-4-6-14(12)18-16(15)19/h3-9,15,17H,1-2H3,(H,18,19).
What are the key properties of 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one?
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43189774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).