N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide

C21H23F3N2O2 — CID 21192927

IUPACN-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide
SMILESCCc1c(NC(=O)c2ccc(OC)c(C(F)(F)F)c2)ccc2c1CN(C)CC2
InChIInChI=1S/C21H23F3N2O2/c1-4-15-16-12-26(2)10-9-13(16)5-7-18(15)25-20(27)14-6-8-19(28-3)17(11-14)21(22,23)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,25,27)
InChIKeyOOYQHZAGXXMCRE-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.52
Rot. Bonds4

About N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide

N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide (PubChem CID 21192927) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide
PubChem CID21192927
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide
SMILESCCc1c(NC(=O)c2ccc(OC)c(C(F)(F)F)c2)ccc2c1CN(C)CC2
InChIInChI=1S/C21H23F3N2O2/c1-4-15-16-12-26(2)10-9-13(16)5-7-18(15)25-20(27)14-6-8-19(28-3)17(11-14)21(22,23)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,25,27)
InChIKeyOOYQHZAGXXMCRE-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide 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

N-(8-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide
CID 21192937
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-(trifluoromethyl)benzamide
CID 102242048
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
3-bromo-4-ethoxy-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;dihydrochloride
CID 159031835
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 5299498
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-(N'-chlorocarbamimidoyl)-4-methoxy-3-(trifluoromethyl)benzamide
CID 67582144
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008972
2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 167868989
3-cyano-N-(8-ethyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)-4-propan-2-ylbenzamide
CID 18382574
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 84664224

Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide (CID 21192927) is N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide is CCc1c(NC(=O)c2ccc(OC)c(C(F)(F)F)c2)ccc2c1CN(C)CC2.
What is the InChIKey of N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide?
The InChIKey is OOYQHZAGXXMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-4-15-16-12-26(2)10-9-13(16)5-7-18(15)25-20(27)14-6-8-19(28-3)17(11-14)21(22,23)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,25,27).
What are the key properties of N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide?
N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methoxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 21192927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).