(3S)-1-benzyl-3-methoxy-3-phenylindol-2-one

C22H19NO2 — CID 102389172

IUPAC(3S)-1-benzyl-3-methoxy-3-phenylindol-2-one
SMILESCO[C@]1(c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO2/c1-25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(21(22)24)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3/t22-/m0/s1
InChIKeyJQJJEOCPWOOOND-QFIPXVFZSA-N
MW329.40 g/mol
LogP4.12
Rot. Bonds4

About (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one

(3S)-1-benzyl-3-methoxy-3-phenylindol-2-one (PubChem CID 102389172) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-methoxy-3-phenylindol-2-one
PubChem CID102389172
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(3S)-1-benzyl-3-methoxy-3-phenylindol-2-one
SMILESCO[C@]1(c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO2/c1-25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(21(22)24)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3/t22-/m0/s1
InChIKeyJQJJEOCPWOOOND-QFIPXVFZSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one?
The IUPAC name of (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one (CID 102389172) is (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one?
The canonical SMILES for (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one is CO[C@]1(c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one?
The InChIKey is JQJJEOCPWOOOND-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(21(22)24)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3/t22-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one?
(3S)-1-benzyl-3-methoxy-3-phenylindol-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-methoxy-3-phenylindol-2-one is sourced from PubChem (CID 102389172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).