N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

C17H16N2O2 — CID 108508973

IUPACN-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16N2O2/c20-16(18-12-13-6-2-1-3-7-13)17(21)19-11-10-14-8-4-5-9-15(14)19/h1-9H,10-12H2,(H,18,20)
InChIKeyWAWNPXIDBPEGGV-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds2

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

N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108508973) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108508973
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16N2O2/c20-16(18-12-13-6-2-1-3-7-13)17(21)19-11-10-14-8-4-5-9-15(14)19/h1-9H,10-12H2,(H,18,20)
InChIKeyWAWNPXIDBPEGGV-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 60550929
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522344
2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 95161347
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108508973) is N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is O=C(NCc1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is WAWNPXIDBPEGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(18-12-13-6-2-1-3-7-13)17(21)19-11-10-14-8-4-5-9-15(14)19/h1-9H,10-12H2,(H,18,20).
What are the key properties of N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 280.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108508973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).