2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

C18H14ClFN2OS — CID 7119113

IUPAC2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN2OS/c19-14-7-4-8-15(20)16(14)17(23)21-10-9-13-11-24-18(22-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyQRWDWOIYMGCWKG-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.58
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119113) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119113
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC Name2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C18H14ClFN2OS/c19-14-7-4-8-15(20)16(14)17(23)21-10-9-13-11-24-18(22-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyQRWDWOIYMGCWKG-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.58
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-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119113) is 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2ccccc2)n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is QRWDWOIYMGCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c19-14-7-4-8-15(20)16(14)17(23)21-10-9-13-11-24-18(22-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 4.58, 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-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).