N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide

C20H19F3N2O3 — CID 166398900

IUPACN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1O)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H19F3N2O3/c1-12(19(28)25-10-9-13-5-2-3-6-14(13)11-25)24-18(27)15-7-4-8-16(17(15)26)20(21,22)23/h2-8,12,26H,9-11H2,1H3,(H,24,27)/t12-/m1/s1
InChIKeyWRKPWISPNUVPST-GFCCVEGCSA-N
MW392.38 g/mol
LogP3.11
Rot. Bonds3

About N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide

N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide (PubChem CID 166398900) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide
PubChem CID166398900
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1O)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H19F3N2O3/c1-12(19(28)25-10-9-13-5-2-3-6-14(13)11-25)24-18(27)15-7-4-8-16(17(15)26)20(21,22)23/h2-8,12,26H,9-11H2,1H3,(H,24,27)/t12-/m1/s1
InChIKeyWRKPWISPNUVPST-GFCCVEGCSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-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-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 110347682
2,3-dihydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 114344654
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55306945
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797918
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3822630
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47008426
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(trifluoromethyl)benzamide
CID 39672665
2-chloro-N-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 51113341
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-2-ethylbutanamide
CID 110349007

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide (CID 166398900) is N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide is C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1O)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide?
The InChIKey is WRKPWISPNUVPST-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-12(19(28)25-10-9-13-5-2-3-6-14(13)11-25)24-18(27)15-7-4-8-16(17(15)26)20(21,22)23/h2-8,12,26H,9-11H2,1H3,(H,24,27)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide?
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-hydroxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 166398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).