2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide

C21H25FN2O2 — CID 86959151

IUPAC2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCc2ccc(F)cc2C1C
InChIInChI=1S/C21H25FN2O2/c1-14(18-6-4-5-7-20(18)26-3)23-21(25)13-24-11-10-16-8-9-17(22)12-19(16)15(24)2/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyYOPULFAYXIVAJC-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.63
Rot. Bonds5

About 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 86959151) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID86959151
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCc2ccc(F)cc2C1C
InChIInChI=1S/C21H25FN2O2/c1-14(18-6-4-5-7-20(18)26-3)23-21(25)13-24-11-10-16-8-9-17(22)12-19(16)15(24)2/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyYOPULFAYXIVAJC-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]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

3-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 124751477
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 51683410
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylacetamide
CID 86960313
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597
(2R)-1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914296
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753217
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78897328
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 98716008
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8786713

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 86959151) is 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(C)NC(=O)CN1CCc2ccc(F)cc2C1C.
What is the InChIKey of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is YOPULFAYXIVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14(18-6-4-5-7-20(18)26-3)23-21(25)13-24-11-10-16-8-9-17(22)12-19(16)15(24)2/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 86959151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).