N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide

C19H12F6N2O2 — CID 102496667

IUPACN-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)10-29-15-7-6-12(19(23,24)25)9-13(15)17(28)27-14-5-1-3-11-4-2-8-26-16(11)14/h1-9H,10H2,(H,27,28)
InChIKeyGKBJQYOJQPTRCK-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.45
Rot. Bonds4

About N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide

N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide (PubChem CID 102496667) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide
PubChem CID102496667
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC NameN-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)10-29-15-7-6-12(19(23,24)25)9-13(15)17(28)27-14-5-1-3-11-4-2-8-26-16(11)14/h1-9H,10H2,(H,27,28)
InChIKeyGKBJQYOJQPTRCK-UHFFFAOYSA-N
XLogP5.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(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

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
(E)-3-Furan-2-yl-N-quinolin-8-yl-acrylamide
CID 750959
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
N-(5-bromoquinolin-8-yl)-2-methoxybenzamide
CID 1322110
N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
CID 2226431
3-(4-methoxyphenyl)-N-quinolin-3-ylpropanamide
CID 5299704
N-(8-quinolinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 834644
4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide
CID 877405
2-phenoxy-N-pyridin-3-ylbenzamide
CID 876892
N-(6,8,8-Trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-ethoxybenzamide
CID 9844292

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide (CID 102496667) is N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is GKBJQYOJQPTRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c20-18(21,22)10-29-15-7-6-12(19(23,24)25)9-13(15)17(28)27-14-5-1-3-11-4-2-8-26-16(11)14/h1-9H,10H2,(H,27,28).
What are the key properties of N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide?
N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 414.31 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 102496667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).