N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide

C22H19N3O2 — CID 108525488

IUPACN-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
SMILESNc1ccc(N(C(=O)C(=O)N2CCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O2/c23-17-10-12-19(13-11-17)25(18-7-2-1-3-8-18)22(27)21(26)24-15-14-16-6-4-5-9-20(16)24/h1-13H,14-15,23H2
InChIKeyIUWVELCJIMHYMH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.52
Rot. Bonds2

About N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide

N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide (PubChem CID 108525488) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
PubChem CID108525488
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
SMILESNc1ccc(N(C(=O)C(=O)N2CCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O2/c23-17-10-12-19(13-11-17)25(18-7-2-1-3-8-18)22(27)21(26)24-15-14-16-6-4-5-9-20(16)24/h1-13H,14-15,23H2
InChIKeyIUWVELCJIMHYMH-UHFFFAOYSA-N
XLogP3.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108521001
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
CID 108526757
N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505664
N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531260
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
2-(2,3-dihydroindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108525186
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529414

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide (CID 108525488) is N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide is Nc1ccc(N(C(=O)C(=O)N2CCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide?
The InChIKey is IUWVELCJIMHYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-17-10-12-19(13-11-17)25(18-7-2-1-3-8-18)22(27)21(26)24-15-14-16-6-4-5-9-20(16)24/h1-13H,14-15,23H2.
What are the key properties of N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide?
N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108525488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).