5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile

C25H20Cl2N2O — CID 58285015

IUPAC5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile
SMILESN#CCCCC(=O)c1cccc(-c2ccc3c(c2)N(c2ccc(Cl)cc2Cl)CC3)c1
InChIInChI=1S/C25H20Cl2N2O/c26-21-9-10-23(22(27)16-21)29-13-11-17-7-8-19(15-24(17)29)18-4-3-5-20(14-18)25(30)6-1-2-12-28/h3-5,7-10,14-16H,1-2,6,11,13H2
InChIKeyQGWAJVXZWVYQSW-UHFFFAOYSA-N
MW435.35 g/mol
LogP7.23
Rot. Bonds6

About 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile

5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile (PubChem CID 58285015) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile.

Molecular Properties

Compound Name5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile
PubChem CID58285015
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC Name5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile
SMILESN#CCCCC(=O)c1cccc(-c2ccc3c(c2)N(c2ccc(Cl)cc2Cl)CC3)c1
InChIInChI=1S/C25H20Cl2N2O/c26-21-9-10-23(22(27)16-21)29-13-11-17-7-8-19(15-24(17)29)18-4-3-5-20(14-18)25(30)6-1-2-12-28/h3-5,7-10,14-16H,1-2,6,11,13H2
InChIKeyQGWAJVXZWVYQSW-UHFFFAOYSA-N
XLogP7.23
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-4-(dimethylamino)butan-1-one
CID 58285012
3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]benzoic acid
CID 67059831
N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
CID 58284983
3-[4-(2,4-dichlorophenyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzoic acid;fluoroform
CID 158813944
N-(2-cyanoethyl)-3-[1-[(3,4-dichlorophenyl)methyl]-2,3-dihydroindol-6-yl]benzamide
CID 58284971
N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
CID 58285014
3-(4-cyanobutanoyl)benzonitrile
CID 24723832
3-[3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]benzoic acid
CID 67059869
4-(2,4-dichlorophenyl)-1-(3-nitrophenyl)butan-1-one
CID 157234645
4-(2,4-dichlorophenyl)-4-oxobutanenitrile
CID 43608235
5-(3,4-dimethylphenyl)-5-oxopentanenitrile
CID 82076500
5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 162705701

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile?
The IUPAC name of 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile (CID 58285015) is 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile.
What is the SMILES notation for 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile?
The canonical SMILES for 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile is N#CCCCC(=O)c1cccc(-c2ccc3c(c2)N(c2ccc(Cl)cc2Cl)CC3)c1.
What is the InChIKey of 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile?
The InChIKey is QGWAJVXZWVYQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c26-21-9-10-23(22(27)16-21)29-13-11-17-7-8-19(15-24(17)29)18-4-3-5-20(14-18)25(30)6-1-2-12-28/h3-5,7-10,14-16H,1-2,6,11,13H2.
What are the key properties of 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile?
5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile has a molecular weight of 435.35 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile is sourced from PubChem (CID 58285015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).