(2-oxo-3-phenyl-1H-indol-3-yl) acetate

C16H13NO3 — CID 132917487

IUPAC(2-oxo-3-phenyl-1H-indol-3-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C16H13NO3/c1-11(18)20-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-15(16)19/h2-10H,1H3,(H,17,19)
InChIKeyQSFOKTMRVSQQKG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.45
Rot. Bonds2

About (2-oxo-3-phenyl-1H-indol-3-yl) acetate

(2-oxo-3-phenyl-1H-indol-3-yl) acetate (PubChem CID 132917487) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-oxo-3-phenyl-1H-indol-3-yl) acetate.

Molecular Properties

Compound Name(2-oxo-3-phenyl-1H-indol-3-yl) acetate
PubChem CID132917487
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(2-oxo-3-phenyl-1H-indol-3-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C16H13NO3/c1-11(18)20-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-15(16)19/h2-10H,1H3,(H,17,19)
InChIKeyQSFOKTMRVSQQKG-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-phenyl-1H-indol-3-yl) acetate?
The IUPAC name of (2-oxo-3-phenyl-1H-indol-3-yl) acetate (CID 132917487) is (2-oxo-3-phenyl-1H-indol-3-yl) acetate.
What is the SMILES notation for (2-oxo-3-phenyl-1H-indol-3-yl) acetate?
The canonical SMILES for (2-oxo-3-phenyl-1H-indol-3-yl) acetate is CC(=O)OC1(c2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of (2-oxo-3-phenyl-1H-indol-3-yl) acetate?
The InChIKey is QSFOKTMRVSQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-11(18)20-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-15(16)19/h2-10H,1H3,(H,17,19).
What are the key properties of (2-oxo-3-phenyl-1H-indol-3-yl) acetate?
(2-oxo-3-phenyl-1H-indol-3-yl) acetate has a molecular weight of 267.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-phenyl-1H-indol-3-yl) acetate is sourced from PubChem (CID 132917487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).