2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide

C17H15N3O3 — CID 108529414

IUPAC2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O3/c18-15(21)12-6-2-3-7-13(12)19-16(22)17(23)20-10-9-11-5-1-4-8-14(11)20/h1-8H,9-10H2,(H2,18,21)(H,19,22)
InChIKeyJDGGVQOFSHGXBX-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.31
Rot. Bonds2

About 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide

2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide (PubChem CID 108529414) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
PubChem CID108529414
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O3/c18-15(21)12-6-2-3-7-13(12)19-16(22)17(23)20-10-9-11-5-1-4-8-14(11)20/h1-8H,9-10H2,(H2,18,21)(H,19,22)
InChIKeyJDGGVQOFSHGXBX-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.31
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-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide
CID 108509407
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-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
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
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531995
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
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-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide?
The IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide (CID 108529414) is 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide?
The InChIKey is JDGGVQOFSHGXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-15(21)12-6-2-3-7-13(12)19-16(22)17(23)20-10-9-11-5-1-4-8-14(11)20/h1-8H,9-10H2,(H2,18,21)(H,19,22).
What are the key properties of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide?
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide has a molecular weight of 309.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide is sourced from PubChem (CID 108529414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).