N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide

C18H15N3O2 — CID 108953344

IUPACN-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H15N3O2/c19-12-14-6-1-3-7-15(14)20-17(22)11-18(23)21-10-9-13-5-2-4-8-16(13)21/h1-8H,9-11H2,(H,20,22)
InChIKeyIOFPXIBWQKWSOW-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.48
Rot. Bonds3

About N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108953344) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108953344
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H15N3O2/c19-12-14-6-1-3-7-15(14)20-17(22)11-18(23)21-10-9-13-5-2-4-8-16(13)21/h1-8H,9-11H2,(H,20,22)
InChIKeyIOFPXIBWQKWSOW-UHFFFAOYSA-N
XLogP2.48
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226
N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948209
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2,4,5-trichlorophenyl)propanamide
CID 67615557
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953321
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335514
3-(5-cyano-2,3-dihydroindol-1-yl)-N-(4-cyanophenyl)-3-oxopropanamide
CID 138582532
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108953344) is N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide is N#Cc1ccccc1NC(=O)CC(=O)N1CCc2ccccc21.
What is the InChIKey of N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is IOFPXIBWQKWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-12-14-6-1-3-7-15(14)20-17(22)11-18(23)21-10-9-13-5-2-4-8-16(13)21/h1-8H,9-11H2,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 305.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108953344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).