N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C17H13N3O2 — CID 110694728

IUPACN-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H13N3O2/c18-10-11-5-7-12(8-6-11)19-16(21)9-14-13-3-1-2-4-15(13)20-17(14)22/h1-8,14H,9H2,(H,19,21)(H,20,22)
InChIKeyTUJKDHFQAUGIJH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.62
Rot. Bonds3

About N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 110694728) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID110694728
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H13N3O2/c18-10-11-5-7-12(8-6-11)19-16(21)9-14-13-3-1-2-4-15(13)20-17(14)22/h1-8,14H,9H2,(H,19,21)(H,20,22)
InChIKeyTUJKDHFQAUGIJH-UHFFFAOYSA-N
XLogP2.62
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(4-cyanophenoxy)phenyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86874533
N-(3,4-dichlorophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694719
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-fluoro-2-methylphenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86867543
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
2-(2-oxo-1,3-dihydroindol-3-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 51129791
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 94821243
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
N-(4-cyanophenyl)-2-[(1R,3S)-3-phenylcyclopentyl]acetamide
CID 121324973

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 110694728) is N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is N#Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is TUJKDHFQAUGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-10-11-5-7-12(8-6-11)19-16(21)9-14-13-3-1-2-4-15(13)20-17(14)22/h1-8,14H,9H2,(H,19,21)(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 110694728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).