N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide

C18H17F3N2O2 — CID 70206950

IUPACN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
SMILESCN1CCc2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2C1
InChIInChI=1S/C18H17F3N2O2/c1-23-9-8-12-6-7-14(10-13(12)11-23)22-17(24)15-4-2-3-5-16(15)25-18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyPSDQTVFHJZGUMJ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.83
Rot. Bonds3

About N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide (PubChem CID 70206950) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
PubChem CID70206950
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
SMILESCN1CCc2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2C1
InChIInChI=1S/C18H17F3N2O2/c1-23-9-8-12-6-7-14(10-13(12)11-23)22-17(24)15-4-2-3-5-16(15)25-18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyPSDQTVFHJZGUMJ-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide (CID 70206950) is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide is CN1CCc2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2C1.
What is the InChIKey of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide?
The InChIKey is PSDQTVFHJZGUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-23-9-8-12-6-7-14(10-13(12)11-23)22-17(24)15-4-2-3-5-16(15)25-18(19,20)21/h2-7,10H,8-9,11H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide?
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 70206950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).