[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate

C25H18N2O4 — CID 9309859

IUPAC[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)c3ccccc3-c3ccccc3C#N)ccc21
InChIInChI=1S/C25H18N2O4/c1-27-22-11-10-16(12-18(22)13-24(27)29)23(28)15-31-25(30)21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-26/h2-12H,13,15H2,1H3
InChIKeyOWRSMPHKMYKTAC-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.78
Rot. Bonds5

About [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate (PubChem CID 9309859) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate.

Molecular Properties

Compound Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
PubChem CID9309859
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)c3ccccc3-c3ccccc3C#N)ccc21
InChIInChI=1S/C25H18N2O4/c1-27-22-11-10-16(12-18(22)13-24(27)29)23(28)15-31-25(30)21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-26/h2-12H,13,15H2,1H3
InChIKeyOWRSMPHKMYKTAC-UHFFFAOYSA-N
XLogP3.78
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate with MolForge

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Related Compounds

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
2-oxopropyl 2-(2-cyanophenyl)benzoate
CID 7520288
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 8954805
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309792
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999661
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9306119
1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one
CID 8972362
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9001028
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8702055
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8575012

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate (CID 9309859) is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate.
What is the SMILES notation for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The canonical SMILES for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate is CN1C(=O)Cc2cc(C(=O)COC(=O)c3ccccc3-c3ccccc3C#N)ccc21.
What is the InChIKey of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The InChIKey is OWRSMPHKMYKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c1-27-22-11-10-16(12-18(22)13-24(27)29)23(28)15-31-25(30)21-9-5-4-8-20(21)19-7-3-2-6-17(19)14-26/h2-12H,13,15H2,1H3.
What are the key properties of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate has a molecular weight of 410.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate is sourced from PubChem (CID 9309859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).