2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

C19H14ClFN2OS — CID 55469619

IUPAC2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C19H14ClFN2OS/c20-16-4-1-5-17(21)18(16)19(24)23-14-6-8-15(9-7-14)25-12-13-3-2-10-22-11-13/h1-11H,12H2,(H,23,24)
InChIKeyFCEIAZYEYMBVIN-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.42
Rot. Bonds5

About 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 55469619) has the molecular formula C19H14ClFN2OS and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID55469619
Molecular FormulaC19H14ClFN2OS
Molecular Weight372.85 g/mol
Exact Mass372.05
IUPAC Name2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C19H14ClFN2OS/c20-16-4-1-5-17(21)18(16)19(24)23-14-6-8-15(9-7-14)25-12-13-3-2-10-22-11-13/h1-11H,12H2,(H,23,24)
InChIKeyFCEIAZYEYMBVIN-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (CID 55469619) is 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is FCEIAZYEYMBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2OS/c20-16-4-1-5-17(21)18(16)19(24)23-14-6-8-15(9-7-14)25-12-13-3-2-10-22-11-13/h1-11H,12H2,(H,23,24).
What are the key properties of 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 372.85 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 55469619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).