4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile

C24H20N2O — CID 2442392

IUPAC4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile
SMILESN#CC(CC(=O)N1CCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O/c25-18-24(20-10-3-1-4-11-20,21-12-5-2-6-13-21)17-23(27)26-16-15-19-9-7-8-14-22(19)26/h1-14H,15-17H2
InChIKeyTZLXMLRHLZCCHT-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.48
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile

4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile (PubChem CID 2442392) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile
PubChem CID2442392
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile
SMILESN#CC(CC(=O)N1CCc2ccccc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O/c25-18-24(20-10-3-1-4-11-20,21-12-5-2-6-13-21)17-23(27)26-16-15-19-9-7-8-14-22(19)26/h1-14H,15-17H2
InChIKeyTZLXMLRHLZCCHT-UHFFFAOYSA-N
XLogP4.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile (CID 2442392) is 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile is N#CC(CC(=O)N1CCc2ccccc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile?
The InChIKey is TZLXMLRHLZCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-18-24(20-10-3-1-4-11-20,21-12-5-2-6-13-21)17-23(27)26-16-15-19-9-7-8-14-22(19)26/h1-14H,15-17H2.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile?
4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile has a molecular weight of 352.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile is sourced from PubChem (CID 2442392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).