[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate

C25H21NO4 — CID 18078937

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21NO4/c1-17-15-21-9-5-6-10-22(21)26(17)23(27)16-30-25(29)20-13-11-19(12-14-20)24(28)18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3
InChIKeyYHLDEVPWSGYNGH-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.05
Rot. Bonds5

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 18078937) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID18078937
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21NO4/c1-17-15-21-9-5-6-10-22(21)26(17)23(27)16-30-25(29)20-13-11-19(12-14-20)24(28)18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3
InChIKeyYHLDEVPWSGYNGH-UHFFFAOYSA-N
XLogP4.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 42962850
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2127625
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413327
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413325
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,5-difluorobenzoate
CID 7925849
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-cyanobenzoate
CID 2626241
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544547

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate (CID 18078937) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate is CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is YHLDEVPWSGYNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-17-15-21-9-5-6-10-22(21)26(17)23(27)16-30-25(29)20-13-11-19(12-14-20)24(28)18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 399.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 18078937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).