5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one

C17H15NO2 — CID 43338587

IUPAC5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
SMILESCCc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H15NO2/c1-2-11-3-5-12(6-4-11)17(20)13-7-8-15-14(9-13)10-16(19)18-15/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyXQLGFIWUSKJPOM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.97
Rot. Bonds3

About 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one

5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one (PubChem CID 43338587) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
PubChem CID43338587
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
SMILESCCc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H15NO2/c1-2-11-3-5-12(6-4-11)17(20)13-7-8-15-14(9-13)10-16(19)18-15/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyXQLGFIWUSKJPOM-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79985362
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
CID 114988363
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
N-[3-(2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]acetamide
CID 68698490
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
CID 62198656

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one (CID 43338587) is 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one is CCc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is XQLGFIWUSKJPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-11-3-5-12(6-4-11)17(20)13-7-8-15-14(9-13)10-16(19)18-15/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one?
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43338587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).