2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide

C19H20FN3O2 — CID 2471624

IUPAC2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c20-16-5-7-17(8-6-16)22-18(24)11-21-19(25)13-23-10-9-14-3-1-2-4-15(14)12-23/h1-8H,9-13H2,(H,21,25)(H,22,24)
InChIKeyYBEGTTUDTWSCOT-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.94
Rot. Bonds5

About 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 2471624) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID2471624
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c20-16-5-7-17(8-6-16)22-18(24)11-21-19(25)13-23-10-9-14-3-1-2-4-15(14)12-23/h1-8H,9-13H2,(H,21,25)(H,22,24)
InChIKeyYBEGTTUDTWSCOT-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 2471624) is 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide is O=C(CN1CCc2ccccc2C1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is YBEGTTUDTWSCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-5-7-17(8-6-16)22-18(24)11-21-19(25)13-23-10-9-14-3-1-2-4-15(14)12-23/h1-8H,9-13H2,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2471624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).