2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

C17H16N2O3 — CID 108502677

IUPAC2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-14-8-6-13(7-9-14)18-16(20)17(21)19-11-10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyHKHZIBCZWAOBLN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide

2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 108502677) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID108502677
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-14-8-6-13(7-9-14)18-16(20)17(21)19-11-10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyHKHZIBCZWAOBLN-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522344
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(4-phenoxyphenyl)acetamide
CID 108505566
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
CID 144672697
CID 144672697
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108530542
2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 18133397
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide (CID 108502677) is 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is HKHZIBCZWAOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-14-8-6-13(7-9-14)18-16(20)17(21)19-11-10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide?
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 108502677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).