N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

C18H14FN3OS — CID 977424

IUPACN-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C18H14FN3OS/c19-15-4-1-2-5-16(15)22-17(23)14-8-6-13(7-9-14)12-24-18-20-10-3-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyXDAKTQYHPQWKEF-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.16
Rot. Bonds5

About N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (PubChem CID 977424) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
PubChem CID977424
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC NameN-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C18H14FN3OS/c19-15-4-1-2-5-16(15)22-17(23)14-8-6-13(7-9-14)12-24-18-20-10-3-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyXDAKTQYHPQWKEF-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (CID 977424) is N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccccc1F)c1ccc(CSc2ncccn2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The InChIKey is XDAKTQYHPQWKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-15-4-1-2-5-16(15)22-17(23)14-8-6-13(7-9-14)12-24-18-20-10-3-11-21-18/h1-11H,12H2,(H,22,23).
What are the key properties of N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 977424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).