2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

C28H17F4N5O2 — CID 118392403

IUPAC2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Oc2ccccn2)cnc1-c1ccccc1)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C28H17F4N5O2/c29-22-15-21(28(30,31)32)19(26-34-11-6-12-35-26)14-20(22)27(38)37-23-13-18(39-24-9-4-5-10-33-24)16-36-25(23)17-7-2-1-3-8-17/h1-16H,(H,37,38)
InChIKeyWOVTWROWYKFHAE-UHFFFAOYSA-N
MW531.47 g/mol
LogP6.80
Rot. Bonds6

About 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 118392403) has the molecular formula C28H17F4N5O2 and a molecular weight of 531.47 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID118392403
Molecular FormulaC28H17F4N5O2
Molecular Weight531.47 g/mol
Exact Mass531.13
IUPAC Name2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Oc2ccccn2)cnc1-c1ccccc1)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C28H17F4N5O2/c29-22-15-21(28(30,31)32)19(26-34-11-6-12-35-26)14-20(22)27(38)37-23-13-18(39-24-9-4-5-10-33-24)16-36-25(23)17-7-2-1-3-8-17/h1-16H,(H,37,38)
InChIKeyWOVTWROWYKFHAE-UHFFFAOYSA-N
XLogP6.80
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.47
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 118392403) is 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is O=C(Nc1cc(Oc2ccccn2)cnc1-c1ccccc1)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is WOVTWROWYKFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F4N5O2/c29-22-15-21(28(30,31)32)19(26-34-11-6-12-35-26)14-20(22)27(38)37-23-13-18(39-24-9-4-5-10-33-24)16-36-25(23)17-7-2-1-3-8-17/h1-16H,(H,37,38).
What are the key properties of 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 531.47 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenyl-5-pyridin-2-yloxy-3-pyridinyl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).