3-(4-methylanilino)-3H-2-benzofuran-1-one

C15H13NO2 — CID 583657

IUPAC3-(4-methylanilino)-3H-2-benzofuran-1-one
SMILESCc1ccc(NC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15(17)18-14/h2-9,14,16H,1H3
InChIKeyMMDXNZHCUUFVMY-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-methylanilino)-3H-2-benzofuran-1-one

3-(4-methylanilino)-3H-2-benzofuran-1-one (PubChem CID 583657) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(4-methylanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-methylanilino)-3H-2-benzofuran-1-one
PubChem CID583657
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(4-methylanilino)-3H-2-benzofuran-1-one
SMILESCc1ccc(NC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15(17)18-14/h2-9,14,16H,1H3
InChIKeyMMDXNZHCUUFVMY-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylanilino)-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-methylanilino)-3H-2-benzofuran-1-one (CID 583657) is 3-(4-methylanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-methylanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-methylanilino)-3H-2-benzofuran-1-one is Cc1ccc(NC2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylanilino)-3H-2-benzofuran-1-one?
The InChIKey is MMDXNZHCUUFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)15(17)18-14/h2-9,14,16H,1H3.
What are the key properties of 3-(4-methylanilino)-3H-2-benzofuran-1-one?
3-(4-methylanilino)-3H-2-benzofuran-1-one has a molecular weight of 239.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 583657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).