N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide

C24H19Cl2N3O — CID 58284983

IUPACN-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
SMILESN#CCCNC(=O)c1cccc(-c2ccc3c(c2)N(c2cc(Cl)ccc2Cl)CC3)c1
InChIInChI=1S/C24H19Cl2N3O/c25-20-7-8-21(26)23(15-20)29-12-9-16-5-6-18(14-22(16)29)17-3-1-4-19(13-17)24(30)28-11-2-10-27/h1,3-8,13-15H,2,9,11-12H2,(H,28,30)
InChIKeyIASVQBBQZJJBET-UHFFFAOYSA-N
MW436.34 g/mol
LogP6.00
Rot. Bonds5

About N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide

N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide (PubChem CID 58284983) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
PubChem CID58284983
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC NameN-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
SMILESN#CCCNC(=O)c1cccc(-c2ccc3c(c2)N(c2cc(Cl)ccc2Cl)CC3)c1
InChIInChI=1S/C24H19Cl2N3O/c25-20-7-8-21(26)23(15-20)29-12-9-16-5-6-18(14-22(16)29)17-3-1-4-19(13-17)24(30)28-11-2-10-27/h1,3-8,13-15H,2,9,11-12H2,(H,28,30)
InChIKeyIASVQBBQZJJBET-UHFFFAOYSA-N
XLogP6.00
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide 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

N-(2-cyanoethyl)-3-[1-[(3,4-dichlorophenyl)methyl]-2,3-dihydroindol-6-yl]benzamide
CID 58284971
5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile
CID 58285015
3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]benzoic acid
CID 67059831
N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
CID 58285014
N-(2-cyanoethyl)-3-(4-nitrophenyl)benzamide
CID 11822549
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide
CID 58285058
CID 69248758
CID 69248758
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
3-[3-(2,4-dichlorophenoxy)-2,3-dihydro-1H-inden-5-yl]-N-(2-methylsulfanylethyl)benzamide
CID 58285066

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
The IUPAC name of N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide (CID 58284983) is N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide is N#CCCNC(=O)c1cccc(-c2ccc3c(c2)N(c2cc(Cl)ccc2Cl)CC3)c1.
What is the InChIKey of N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
The InChIKey is IASVQBBQZJJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c25-20-7-8-21(26)23(15-20)29-12-9-16-5-6-18(14-22(16)29)17-3-1-4-19(13-17)24(30)28-11-2-10-27/h1,3-8,13-15H,2,9,11-12H2,(H,28,30).
What are the key properties of N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide has a molecular weight of 436.34 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide is sourced from PubChem (CID 58284983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).