2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide

C19H19Cl2N3O2 — CID 78903923

IUPAC2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(CC(=O)Nc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C19H19Cl2N3O2/c1-12(25)22-17-4-2-3-13-10-24(8-7-15(13)17)11-19(26)23-18-6-5-14(20)9-16(18)21/h2-6,9H,7-8,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyADPVJRMBOMGQQM-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.95
Rot. Bonds4

About 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide

2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 78903923) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide
PubChem CID78903923
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(CC(=O)Nc1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C19H19Cl2N3O2/c1-12(25)22-17-4-2-3-13-10-24(8-7-15(13)17)11-19(26)23-18-6-5-14(20)9-16(18)21/h2-6,9H,7-8,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyADPVJRMBOMGQQM-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide 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-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 166232149
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510
N-[2-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 111439571
N-(2,3-dichlorophenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8993006
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9H-fluoren-1-yl)acetamide
CID 69446995
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146126036

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide (CID 78903923) is 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide is CC(=O)Nc1cccc2c1CCN(CC(=O)Nc1ccc(Cl)cc1Cl)C2.
What is the InChIKey of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is ADPVJRMBOMGQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-12(25)22-17-4-2-3-13-10-24(8-7-15(13)17)11-19(26)23-18-6-5-14(20)9-16(18)21/h2-6,9H,7-8,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide?
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 78903923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).