1-(2-methylanilino)-3-phenyl-3H-indol-2-one

C21H18N2O — CID 12654244

IUPAC1-(2-methylanilino)-3-phenyl-3H-indol-2-one
SMILESCc1ccccc1NN1C(=O)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H18N2O/c1-15-9-5-7-13-18(15)22-23-19-14-8-6-12-17(19)20(21(23)24)16-10-3-2-4-11-16/h2-14,20,22H,1H3
InChIKeySTDNKAUMZCEWRY-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.50
Rot. Bonds3

About 1-(2-methylanilino)-3-phenyl-3H-indol-2-one

1-(2-methylanilino)-3-phenyl-3H-indol-2-one (PubChem CID 12654244) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methylanilino)-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-methylanilino)-3-phenyl-3H-indol-2-one
PubChem CID12654244
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-(2-methylanilino)-3-phenyl-3H-indol-2-one
SMILESCc1ccccc1NN1C(=O)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H18N2O/c1-15-9-5-7-13-18(15)22-23-19-14-8-6-12-17(19)20(21(23)24)16-10-3-2-4-11-16/h2-14,20,22H,1H3
InChIKeySTDNKAUMZCEWRY-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylanilino)-3-phenyl-3H-indol-2-one?
The IUPAC name of 1-(2-methylanilino)-3-phenyl-3H-indol-2-one (CID 12654244) is 1-(2-methylanilino)-3-phenyl-3H-indol-2-one.
What is the SMILES notation for 1-(2-methylanilino)-3-phenyl-3H-indol-2-one?
The canonical SMILES for 1-(2-methylanilino)-3-phenyl-3H-indol-2-one is Cc1ccccc1NN1C(=O)C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-methylanilino)-3-phenyl-3H-indol-2-one?
The InChIKey is STDNKAUMZCEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-9-5-7-13-18(15)22-23-19-14-8-6-12-17(19)20(21(23)24)16-10-3-2-4-11-16/h2-14,20,22H,1H3.
What are the key properties of 1-(2-methylanilino)-3-phenyl-3H-indol-2-one?
1-(2-methylanilino)-3-phenyl-3H-indol-2-one has a molecular weight of 314.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylanilino)-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 12654244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).