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

C18H13ClF2N2OS — CID 7522100

IUPAC2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C18H13ClF2N2OS/c19-14-2-1-3-15(21)16(14)17(24)22-9-8-13-10-25-18(23-13)11-4-6-12(20)7-5-11/h1-7,10H,8-9H2,(H,22,24)
InChIKeyBEMQLWKTVQWNSG-UHFFFAOYSA-N
MW378.83 g/mol
LogP4.71
Rot. Bonds5

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

2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7522100) has the molecular formula C18H13ClF2N2OS and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7522100
Molecular FormulaC18H13ClF2N2OS
Molecular Weight378.83 g/mol
Exact Mass378.04
IUPAC Name2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C18H13ClF2N2OS/c19-14-2-1-3-15(21)16(14)17(24)22-9-8-13-10-25-18(23-13)11-4-6-12(20)7-5-11/h1-7,10H,8-9H2,(H,22,24)
InChIKeyBEMQLWKTVQWNSG-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 54.71
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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7522100) is 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is BEMQLWKTVQWNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2OS/c19-14-2-1-3-15(21)16(14)17(24)22-9-8-13-10-25-18(23-13)11-4-6-12(20)7-5-11/h1-7,10H,8-9H2,(H,22,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 378.83 g/mol, XLogP of 4.71, 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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7522100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).