3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

C18H10F2N4O2 — CID 58337532

IUPAC3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESN#Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H10F2N4O2/c19-13-2-11(7-21)1-12(3-13)18(25)24-15-4-14(20)5-16(6-15)26-17-8-22-10-23-9-17/h1-6,8-10H,(H,24,25)
InChIKeyLIKQAZUWOTZQNG-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.67
Rot. Bonds4

About 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 58337532) has the molecular formula C18H10F2N4O2 and a molecular weight of 352.30 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID58337532
Molecular FormulaC18H10F2N4O2
Molecular Weight352.30 g/mol
Exact Mass352.08
IUPAC Name3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESN#Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H10F2N4O2/c19-13-2-11(7-21)1-12(3-13)18(25)24-15-4-14(20)5-16(6-15)26-17-8-22-10-23-9-17/h1-6,8-10H,(H,24,25)
InChIKeyLIKQAZUWOTZQNG-UHFFFAOYSA-N
XLogP3.67
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (CID 58337532) is 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is N#Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is LIKQAZUWOTZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N4O2/c19-13-2-11(7-21)1-12(3-13)18(25)24-15-4-14(20)5-16(6-15)26-17-8-22-10-23-9-17/h1-6,8-10H,(H,24,25).
What are the key properties of 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 352.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 58337532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).