2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide

C20H16N2O3 — CID 108509407

IUPAC2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc2c(O)cccc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H16N2O3/c23-18-10-4-6-14-15(18)7-3-8-16(14)21-19(24)20(25)22-12-11-13-5-1-2-9-17(13)22/h1-10,23H,11-12H2,(H,21,24)
InChIKeyWRUPQHNZXUYDHT-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide

2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide (PubChem CID 108509407) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide
PubChem CID108509407
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc2c(O)cccc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C20H16N2O3/c23-18-10-4-6-14-15(18)7-3-8-16(14)21-19(24)20(25)22-12-11-13-5-1-2-9-17(13)22/h1-10,23H,11-12H2,(H,21,24)
InChIKeyWRUPQHNZXUYDHT-UHFFFAOYSA-N
XLogP3.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529414
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108986778
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522344
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531995
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108530542
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
CID 108505557

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide (CID 108509407) is 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide is O=C(Nc1cccc2c(O)cccc12)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide?
The InChIKey is WRUPQHNZXUYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-18-10-4-6-14-15(18)7-3-8-16(14)21-19(24)20(25)22-12-11-13-5-1-2-9-17(13)22/h1-10,23H,11-12H2,(H,21,24).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide?
2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide has a molecular weight of 332.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108509407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).