N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C20H18F4N2O — CID 120883284

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F4N2O/c21-18-14-6-7-25-10-12(14)4-5-17(18)26-19(27)16-9-15(16)11-2-1-3-13(8-11)20(22,23)24/h1-5,8,15-16,25H,6-7,9-10H2,(H,26,27)
InChIKeyHRBLXRNRJLTLOA-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.23
Rot. Bonds3

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 120883284) has the molecular formula C20H18F4N2O and a molecular weight of 378.37 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID120883284
Molecular FormulaC20H18F4N2O
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F4N2O/c21-18-14-6-7-25-10-12(14)4-5-17(18)26-19(27)16-9-15(16)11-2-1-3-13(8-11)20(22,23)24/h1-5,8,15-16,25H,6-7,9-10H2,(H,26,27)
InChIKeyHRBLXRNRJLTLOA-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
CID 120881626
2-(2-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120882141
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120880996
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119421188
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide
CID 120882466
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 95977222
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 120883934

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 120883284) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HRBLXRNRJLTLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O/c21-18-14-6-7-25-10-12(14)4-5-17(18)26-19(27)16-9-15(16)11-2-1-3-13(8-11)20(22,23)24/h1-5,8,15-16,25H,6-7,9-10H2,(H,26,27).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 120883284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).