(2-oxo-1,3-diphenylindol-3-yl) acetate

C22H17NO3 — CID 11046152

IUPAC(2-oxo-1,3-diphenylindol-3-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO3/c1-16(24)26-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21(22)25)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyBYNJFHYTAWJZKV-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.17
Rot. Bonds3

About (2-oxo-1,3-diphenylindol-3-yl) acetate

(2-oxo-1,3-diphenylindol-3-yl) acetate (PubChem CID 11046152) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2-oxo-1,3-diphenylindol-3-yl) acetate.

Molecular Properties

Compound Name(2-oxo-1,3-diphenylindol-3-yl) acetate
PubChem CID11046152
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(2-oxo-1,3-diphenylindol-3-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO3/c1-16(24)26-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21(22)25)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyBYNJFHYTAWJZKV-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl acetate
CID 3132850
benzyl 1-acetyl-2-benzyl-3H-indole-2-carboxylate
CID 70689983
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
[3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
CID 6439879
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
1-Methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione
CID 303989
(3S,4'R,6'R)-4'-(benzylamino)-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 73670238
1'-(2,5-dimethylbenzyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 3238323
1'-(2-methylbenzyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 3238951
1'-[(2-Fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 4609329
tert-butyl (3S)-3-benzoyloxy-3-(4-fluorophenyl)-2-oxoindole-1-carboxylate
CID 53235667
1-Benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione
CID 102113661

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-diphenylindol-3-yl) acetate?
The IUPAC name of (2-oxo-1,3-diphenylindol-3-yl) acetate (CID 11046152) is (2-oxo-1,3-diphenylindol-3-yl) acetate.
What is the SMILES notation for (2-oxo-1,3-diphenylindol-3-yl) acetate?
The canonical SMILES for (2-oxo-1,3-diphenylindol-3-yl) acetate is CC(=O)OC1(c2ccccc2)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of (2-oxo-1,3-diphenylindol-3-yl) acetate?
The InChIKey is BYNJFHYTAWJZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-16(24)26-22(17-10-4-2-5-11-17)19-14-8-9-15-20(19)23(21(22)25)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of (2-oxo-1,3-diphenylindol-3-yl) acetate?
(2-oxo-1,3-diphenylindol-3-yl) acetate has a molecular weight of 343.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-diphenylindol-3-yl) acetate is sourced from PubChem (CID 11046152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).