N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide

C19H19FN2O3 — CID 16942902

IUPACN-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2C1
InChIInChI=1S/C19H19FN2O3/c1-13(23)22-9-8-14-2-5-17(10-15(14)11-22)21-19(24)12-25-18-6-3-16(20)4-7-18/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyPFGXZEVDGRNOSI-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.75
Rot. Bonds4

About N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide

N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 16942902) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID16942902
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2C1
InChIInChI=1S/C19H19FN2O3/c1-13(23)22-9-8-14-2-5-17(10-15(14)11-22)21-19(24)12-25-18-6-3-16(20)4-7-18/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyPFGXZEVDGRNOSI-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-[[2-(4-fluorophenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166201712
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 16942901
methyl 7-[[2-(4-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034796
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 16942838
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluorobenzamide
CID 16942833
N-(1-ethyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenoxy)acetamide
CID 166188945
2-(4-ethylphenoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16943044
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-fluorophenoxy)acetamide
CID 16930802
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 18206710
N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 16943052
2-(4-tert-butylphenoxy)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943550
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide (CID 16942902) is N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide is CC(=O)N1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2C1.
What is the InChIKey of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is PFGXZEVDGRNOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13(23)22-9-8-14-2-5-17(10-15(14)11-22)21-19(24)12-25-18-6-3-16(20)4-7-18/h2-7,10H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide?
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 16942902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).