5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one

C17H15NO3 — CID 43338604

IUPAC5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(CC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H15NO3/c1-21-14-5-2-11(3-6-14)8-16(19)12-4-7-15-13(9-12)10-17(20)18-15/h2-7,9H,8,10H2,1H3,(H,18,20)
InChIKeyIUSQPLCBMFYQLF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.62
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one

5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one (PubChem CID 43338604) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
PubChem CID43338604
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(CC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H15NO3/c1-21-14-5-2-11(3-6-14)8-16(19)12-4-7-15-13(9-12)10-17(20)18-15/h2-7,9H,8,10H2,1H3,(H,18,20)
InChIKeyIUSQPLCBMFYQLF-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344890
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110788429
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9056007

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one (CID 43338604) is 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one is COc1ccc(CC(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one?
The InChIKey is IUSQPLCBMFYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-14-5-2-11(3-6-14)8-16(19)12-4-7-15-13(9-12)10-17(20)18-15/h2-7,9H,8,10H2,1H3,(H,18,20).
What are the key properties of 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one?
5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43338604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).