N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C21H25FN2O2 — CID 120882354

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2F)CCNC3)ccc1C(C)C
InChIInChI=1S/C21H25FN2O2/c1-13(2)17-6-5-16(10-14(17)3)26-12-20(25)24-19-7-4-15-11-23-9-8-18(15)21(19)22/h4-7,10,13,23H,8-9,11-12H2,1-3H3,(H,24,25)
InChIKeyLCBIBZQVKRIVMN-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.92
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 120882354) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID120882354
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2F)CCNC3)ccc1C(C)C
InChIInChI=1S/C21H25FN2O2/c1-13(2)17-6-5-16(10-14(17)3)26-12-20(25)24-19-7-4-15-11-23-9-8-18(15)21(19)22/h4-7,10,13,23H,8-9,11-12H2,1-3H3,(H,24,25)
InChIKeyLCBIBZQVKRIVMN-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120884035
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
CID 120882521
2-(2,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120881318
2-(2-butan-2-ylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882566
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649
2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882527
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 120881617
3-(3,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883364
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 120882354) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc3c(c2F)CCNC3)ccc1C(C)C.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is LCBIBZQVKRIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-13(2)17-6-5-16(10-14(17)3)26-12-20(25)24-19-7-4-15-11-23-9-8-18(15)21(19)22/h4-7,10,13,23H,8-9,11-12H2,1-3H3,(H,24,25).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 356.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 120882354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).