2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride

C19H19ClF4N2O2 — CID 68711980

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride
SMILESCOc1ccc2c(c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1)CCNC2.Cl
InChIInChI=1S/C19H18F4N2O2.ClH/c1-27-16-5-3-12-10-24-7-6-13(12)18(16)25-17(26)9-11-2-4-14(15(20)8-11)19(21,22)23;/h2-5,8,24H,6-7,9-10H2,1H3,(H,25,26);1H
InChIKeyDGFKKBRXSYSUFN-UHFFFAOYSA-N
MW418.82 g/mol
LogP4.10
Rot. Bonds4

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride (PubChem CID 68711980) has the molecular formula C19H19ClF4N2O2 and a molecular weight of 418.82 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride
PubChem CID68711980
Molecular FormulaC19H19ClF4N2O2
Molecular Weight418.82 g/mol
Exact Mass418.11
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride
SMILESCOc1ccc2c(c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1)CCNC2.Cl
InChIInChI=1S/C19H18F4N2O2.ClH/c1-27-16-5-3-12-10-24-7-6-13(12)18(16)25-17(26)9-11-2-4-14(15(20)8-11)19(21,22)23;/h2-5,8,24H,6-7,9-10H2,1H3,(H,25,26);1H
InChIKeyDGFKKBRXSYSUFN-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883571
N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 68709653
N-(2-acetyl-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585852
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-(4-methoxyphenyl)sulfonyl-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 59585926
N-[6-chloro-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585616
N-[6-chloro-2-(4-fluorobenzoyl)-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585729
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120883597
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[6-methyl-2-(4-propan-2-ylbenzoyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 59585866
N-[6-chloro-2-(3,5-dichlorobenzoyl)-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585534
N-(2-benzoyl-6-chloro-3,4-dihydro-1H-isoquinolin-5-yl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585836
N-[2-(2-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585723
N-[6-chloro-2-(2,4,5-trifluorobenzoyl)-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585492

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride (CID 68711980) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride is COc1ccc2c(c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1)CCNC2.Cl.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride?
The InChIKey is DGFKKBRXSYSUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2.ClH/c1-27-16-5-3-12-10-24-7-6-13(12)18(16)25-17(26)9-11-2-4-14(15(20)8-11)19(21,22)23;/h2-5,8,24H,6-7,9-10H2,1H3,(H,25,26);1H.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride has a molecular weight of 418.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 68711980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).