2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide

C23H14F4N2O2 — CID 53329942

IUPAC2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H14F4N2O2/c24-19-10-5-14(23(25,26)27)13-18(19)22(30)29-15-6-8-16(9-7-15)31-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H,29,30)
InChIKeyHLQQFANMINGQAS-UHFFFAOYSA-N
MW426.37 g/mol
LogP6.44
Rot. Bonds4

About 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 53329942) has the molecular formula C23H14F4N2O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
PubChem CID53329942
Molecular FormulaC23H14F4N2O2
Molecular Weight426.37 g/mol
Exact Mass426.10
IUPAC Name2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H14F4N2O2/c24-19-10-5-14(23(25,26)27)13-18(19)22(30)29-15-6-8-16(9-7-15)31-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H,29,30)
InChIKeyHLQQFANMINGQAS-UHFFFAOYSA-N
XLogP6.44
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 ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71982272
2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393813
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide
CID 155566462
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 42625165
4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051312
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534
N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-2-(4-quinolin-4-yloxyphenoxy)acetamide
CID 90044470
2-imidazol-1-yl-N-(4-quinolin-4-yloxyphenyl)acetamide
CID 71984235
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] quinoline-4-carboxylate
CID 78815301
N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide (CID 53329942) is 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide is O=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is HLQQFANMINGQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O2/c24-19-10-5-14(23(25,26)27)13-18(19)22(30)29-15-6-8-16(9-7-15)31-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H,29,30).
What are the key properties of 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 426.37 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 53329942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).