N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide

C18H13F3N2O2 — CID 166085769

IUPACN-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cncc2ccccc12
InChIInChI=1S/C18H13F3N2O2/c1-25-16-7-6-12(18(19,20)21)8-14(16)17(24)23-15-10-22-9-11-4-2-3-5-13(11)15/h2-10H,1H3,(H,23,24)
InChIKeyUQFDVWWRDRQXIY-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.51
Rot. Bonds3

About N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide

N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide (PubChem CID 166085769) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
PubChem CID166085769
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC NameN-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cncc2ccccc12
InChIInChI=1S/C18H13F3N2O2/c1-25-16-7-6-12(18(19,20)21)8-14(16)17(24)23-15-10-22-9-11-4-2-3-5-13(11)15/h2-10H,1H3,(H,23,24)
InChIKeyUQFDVWWRDRQXIY-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
2-amino-N-isoquinolin-4-yl-5-(trifluoromethoxy)benzamide
CID 166085813
N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 132532956
8-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 18372533
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 71273086

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide (CID 166085769) is N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide is COc1ccc(C(F)(F)F)cc1C(=O)Nc1cncc2ccccc12.
What is the InChIKey of N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide?
The InChIKey is UQFDVWWRDRQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-25-16-7-6-12(18(19,20)21)8-14(16)17(24)23-15-10-22-9-11-4-2-3-5-13(11)15/h2-10H,1H3,(H,23,24).
What are the key properties of N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide?
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide has a molecular weight of 346.31 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166085769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).