(3S)-3-benzyl-1-phenyl-3H-indol-2-one

C21H17NO — CID 26367892

IUPAC(3S)-3-benzyl-1-phenyl-3H-indol-2-one
SMILESO=C1[C@@H](Cc2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H17NO/c23-21-19(15-16-9-3-1-4-10-16)18-13-7-8-14-20(18)22(21)17-11-5-2-6-12-17/h1-14,19H,15H2/t19-/m0/s1
InChIKeyZCOAEEXUIRLPTO-IBGZPJMESA-N
MW299.37 g/mol
LogP4.69
Rot. Bonds3

About (3S)-3-benzyl-1-phenyl-3H-indol-2-one

(3S)-3-benzyl-1-phenyl-3H-indol-2-one (PubChem CID 26367892) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S)-3-benzyl-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-1-phenyl-3H-indol-2-one
PubChem CID26367892
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(3S)-3-benzyl-1-phenyl-3H-indol-2-one
SMILESO=C1[C@@H](Cc2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H17NO/c23-21-19(15-16-9-3-1-4-10-16)18-13-7-8-14-20(18)22(21)17-11-5-2-6-12-17/h1-14,19H,15H2/t19-/m0/s1
InChIKeyZCOAEEXUIRLPTO-IBGZPJMESA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-phenyl-3H-indol-2-one?
The IUPAC name of (3S)-3-benzyl-1-phenyl-3H-indol-2-one (CID 26367892) is (3S)-3-benzyl-1-phenyl-3H-indol-2-one.
What is the SMILES notation for (3S)-3-benzyl-1-phenyl-3H-indol-2-one?
The canonical SMILES for (3S)-3-benzyl-1-phenyl-3H-indol-2-one is O=C1[C@@H](Cc2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of (3S)-3-benzyl-1-phenyl-3H-indol-2-one?
The InChIKey is ZCOAEEXUIRLPTO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17NO/c23-21-19(15-16-9-3-1-4-10-16)18-13-7-8-14-20(18)22(21)17-11-5-2-6-12-17/h1-14,19H,15H2/t19-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-phenyl-3H-indol-2-one?
(3S)-3-benzyl-1-phenyl-3H-indol-2-one has a molecular weight of 299.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 26367892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).