N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide

C23H15F3N2O2 — CID 23156815

IUPACN-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)c1ccccc1
InChIInChI=1S/C23H15F3N2O2/c24-23(25,26)19-9-5-4-8-17(19)20-12-15-10-11-16(13-18(15)22(30)28-20)27-21(29)14-6-2-1-3-7-14/h1-13H,(H,27,29)(H,28,30)
InChIKeyWYGVWCNSPPSLPU-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.47
Rot. Bonds3

About N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide

N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide (PubChem CID 23156815) has the molecular formula C23H15F3N2O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide
PubChem CID23156815
Molecular FormulaC23H15F3N2O2
Molecular Weight408.38 g/mol
Exact Mass408.11
IUPAC NameN-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)c1ccccc1
InChIInChI=1S/C23H15F3N2O2/c24-23(25,26)19-9-5-4-8-17(19)20-12-15-10-11-16(13-18(15)22(30)28-20)27-21(29)14-6-2-1-3-7-14/h1-13H,(H,27,29)(H,28,30)
InChIKeyWYGVWCNSPPSLPU-UHFFFAOYSA-N
XLogP5.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]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-(1,3-dihydroxypropan-2-yl)-N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]carbamate
CID 152758668
7-(2-oxo-1-pyridinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 11853419
N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156859
7-[2-hydroxyethyl(methyl)amino]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 58941639
(3-methoxy-2,2-dimethylpropyl)-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]carbamic acid
CID 66810758
(4R)-5-oxo-4-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]pyrrolidine-2-carboxamide
CID 141261901
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
7-[5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 141261717
2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156742
7-[2-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 23156872
[(2R)-2,3-bis(phenylmethoxy)propyl]-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]carbamic acid
CID 66810813
7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 23156870

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide?
The IUPAC name of N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide (CID 23156815) is N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide.
What is the SMILES notation for N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide?
The canonical SMILES for N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide is O=C(Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1)c1ccccc1.
What is the InChIKey of N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide?
The InChIKey is WYGVWCNSPPSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O2/c24-23(25,26)19-9-5-4-8-17(19)20-12-15-10-11-16(13-18(15)22(30)28-20)27-21(29)14-6-2-1-3-7-14/h1-13H,(H,27,29)(H,28,30).
What are the key properties of N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide?
N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide has a molecular weight of 408.38 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide is sourced from PubChem (CID 23156815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).