N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide

C25H18F4N4O3 — CID 123341892

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(OCCc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C25H18F4N4O3/c26-17-10-19(12-21(11-17)36-22-13-30-15-31-14-22)33-24(34)16-3-1-5-20(9-16)35-8-7-18-4-2-6-23(32-18)25(27,28)29/h1-6,9-15H,7-8H2,(H,33,34)
InChIKeyCLPXUGZSQYGBNY-UHFFFAOYSA-N
MW498.44 g/mol
LogP5.70
Rot. Bonds8

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide (PubChem CID 123341892) has the molecular formula C25H18F4N4O3 and a molecular weight of 498.44 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide
PubChem CID123341892
Molecular FormulaC25H18F4N4O3
Molecular Weight498.44 g/mol
Exact Mass498.13
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(OCCc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C25H18F4N4O3/c26-17-10-19(12-21(11-17)36-22-13-30-15-31-14-22)33-24(34)16-3-1-5-20(9-16)35-8-7-18-4-2-6-23(32-18)25(27,28)29/h1-6,9-15H,7-8H2,(H,33,34)
InChIKeyCLPXUGZSQYGBNY-UHFFFAOYSA-N
XLogP5.70
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]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

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108989
4-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108990
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108995
2-(Methylamino)pyrimidine 57
CID 16108996
2-(Methylamino)pyrimidine 58
CID 16108997
2-(Methylamino)pyrimidine 52
CID 23646931

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide (CID 123341892) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cccc(OCCc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide?
The InChIKey is CLPXUGZSQYGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N4O3/c26-17-10-19(12-21(11-17)36-22-13-30-15-31-14-22)33-24(34)16-3-1-5-20(9-16)35-8-7-18-4-2-6-23(32-18)25(27,28)29/h1-6,9-15H,7-8H2,(H,33,34).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide has a molecular weight of 498.44 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-[2-[6-(trifluoromethyl)-2-pyridinyl]ethoxy]benzamide is sourced from PubChem (CID 123341892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).