4-(benzylamino)-1-phenyl-3H-indol-2-one

C21H18N2O — CID 102082479

IUPAC4-(benzylamino)-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2c(NCc3ccccc3)cccc2N1c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21-14-18-19(22-15-16-8-3-1-4-9-16)12-7-13-20(18)23(21)17-10-5-2-6-11-17/h1-13,22H,14-15H2
InChIKeyATSALDBBYJIGRZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.52
Rot. Bonds4

About 4-(benzylamino)-1-phenyl-3H-indol-2-one

4-(benzylamino)-1-phenyl-3H-indol-2-one (PubChem CID 102082479) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(benzylamino)-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name4-(benzylamino)-1-phenyl-3H-indol-2-one
PubChem CID102082479
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-(benzylamino)-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2c(NCc3ccccc3)cccc2N1c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21-14-18-19(22-15-16-8-3-1-4-9-16)12-7-13-20(18)23(21)17-10-5-2-6-11-17/h1-13,22H,14-15H2
InChIKeyATSALDBBYJIGRZ-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-phenyl-3H-indol-2-one?
The IUPAC name of 4-(benzylamino)-1-phenyl-3H-indol-2-one (CID 102082479) is 4-(benzylamino)-1-phenyl-3H-indol-2-one.
What is the SMILES notation for 4-(benzylamino)-1-phenyl-3H-indol-2-one?
The canonical SMILES for 4-(benzylamino)-1-phenyl-3H-indol-2-one is O=C1Cc2c(NCc3ccccc3)cccc2N1c1ccccc1.
What is the InChIKey of 4-(benzylamino)-1-phenyl-3H-indol-2-one?
The InChIKey is ATSALDBBYJIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21-14-18-19(22-15-16-8-3-1-4-9-16)12-7-13-20(18)23(21)17-10-5-2-6-11-17/h1-13,22H,14-15H2.
What are the key properties of 4-(benzylamino)-1-phenyl-3H-indol-2-one?
4-(benzylamino)-1-phenyl-3H-indol-2-one has a molecular weight of 314.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 102082479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).