N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide

C20H21FN2O3 — CID 166180934

IUPACN-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1
InChIInChI=1S/C20H21FN2O3/c1-14(22-19(24)13-26-18-5-3-2-4-6-18)20(25)23-10-9-15-7-8-17(21)11-16(15)12-23/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyWIYJGRMORMOJFB-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide

N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide (PubChem CID 166180934) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
PubChem CID166180934
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1
InChIInChI=1S/C20H21FN2O3/c1-14(22-19(24)13-26-18-5-3-2-4-6-18)20(25)23-10-9-15-7-8-17(21)11-16(15)12-23/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyWIYJGRMORMOJFB-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide with MolForge

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Related Compounds

N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide
CID 16942902
2-amino-1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylethanone;hydrochloride
CID 86784325
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119491118
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]propan-1-one
CID 112798069
7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126778493
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide (CID 166180934) is N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)C(=O)N1CCc2ccc(F)cc2C1.
What is the InChIKey of N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
The InChIKey is WIYJGRMORMOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-14(22-19(24)13-26-18-5-3-2-4-6-18)20(25)23-10-9-15-7-8-17(21)11-16(15)12-23/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide has a molecular weight of 356.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 166180934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).