4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide

C23H14F4N2O2 — CID 58154602

IUPAC4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1ccc(F)cc1
InChIInChI=1S/C23H14F4N2O2/c24-17-10-7-15(8-11-17)22(30)29-20-6-2-3-14-9-12-19(28-21(14)20)16-4-1-5-18(13-16)31-23(25,26)27/h1-13H,(H,29,30)
InChIKeyVJPYWRTVDFPBJV-UHFFFAOYSA-N
MW426.37 g/mol
LogP6.19
Rot. Bonds4

About 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide

4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide (PubChem CID 58154602) has the molecular formula C23H14F4N2O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
PubChem CID58154602
Molecular FormulaC23H14F4N2O2
Molecular Weight426.37 g/mol
Exact Mass426.10
IUPAC Name4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1ccc(F)cc1
InChIInChI=1S/C23H14F4N2O2/c24-17-10-7-15(8-11-17)22(30)29-20-6-2-3-14-9-12-19(28-21(14)20)16-4-1-5-18(13-16)31-23(25,26)27/h1-13H,(H,29,30)
InChIKeyVJPYWRTVDFPBJV-UHFFFAOYSA-N
XLogP6.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-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-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite
CID 121354207
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58154674
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide
CID 58874653
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
CID 71415618
ethyl 2-[[4-[8-(trifluoromethyl)quinolin-2-yl]benzoyl]amino]benzoate
CID 58874930
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 71375758

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide (CID 58154602) is 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide is O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide?
The InChIKey is VJPYWRTVDFPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O2/c24-17-10-7-15(8-11-17)22(30)29-20-6-2-3-14-9-12-19(28-21(14)20)16-4-1-5-18(13-16)31-23(25,26)27/h1-13H,(H,29,30).
What are the key properties of 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide?
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide has a molecular weight of 426.37 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide is sourced from PubChem (CID 58154602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).