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

C18H17Cl2F3N2O — CID 68709653

IUPACN-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(C(F)(F)F)cc1)Nc1c(Cl)ccc2c1CCNC2
InChIInChI=1S/C18H16ClF3N2O.ClH/c19-15-6-3-12-10-23-8-7-14(12)17(15)24-16(25)9-11-1-4-13(5-2-11)18(20,21)22;/h1-6,23H,7-10H2,(H,24,25);1H
InChIKeySKHFDUKYIKWTNV-UHFFFAOYSA-N
MW405.25 g/mol
LogP4.61
Rot. Bonds3

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

N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 68709653) has the molecular formula C18H17Cl2F3N2O and a molecular weight of 405.25 g/mol. Its IUPAC name is N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID68709653
Molecular FormulaC18H17Cl2F3N2O
Molecular Weight405.25 g/mol
Exact Mass404.07
IUPAC NameN-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(C(F)(F)F)cc1)Nc1c(Cl)ccc2c1CCNC2
InChIInChI=1S/C18H16ClF3N2O.ClH/c19-15-6-3-12-10-23-8-7-14(12)17(15)24-16(25)9-11-1-4-13(5-2-11)18(20,21)22;/h1-6,23H,7-10H2,(H,24,25);1H
InChIKeySKHFDUKYIKWTNV-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-chloro-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59585776
N-[6-chloro-2-(4-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59585974
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride
CID 68711980
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120883597
N-[6-chloro-2-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59585777
N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 130275796
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 88616755
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
N-[6-chloro-2-(4-fluorobenzoyl)-3,4-dihydro-1H-isoquinolin-5-yl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 59585729
7-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
CID 70375869
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 68709653) is N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is Cl.O=C(Cc1ccc(C(F)(F)F)cc1)Nc1c(Cl)ccc2c1CCNC2.
What is the InChIKey of N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is SKHFDUKYIKWTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O.ClH/c19-15-6-3-12-10-23-8-7-14(12)17(15)24-16(25)9-11-1-4-13(5-2-11)18(20,21)22;/h1-6,23H,7-10H2,(H,24,25);1H.
What are the key properties of N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?
N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 405.25 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 68709653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).