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

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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).