2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide

C19H16ClFN2O2S — CID 7522124

IUPAC2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16ClFN2O2S/c20-14-3-7-17(8-4-14)25-11-18(24)22-10-9-16-12-26-19(23-16)13-1-5-15(21)6-2-13/h1-8,12H,9-11H2,(H,22,24)
InChIKeyHVDBSYKCCLKGSO-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.34
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 7522124) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID7522124
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16ClFN2O2S/c20-14-3-7-17(8-4-14)25-11-18(24)22-10-9-16-12-26-19(23-16)13-1-5-15(21)6-2-13/h1-8,12H,9-11H2,(H,22,24)
InChIKeyHVDBSYKCCLKGSO-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 7522124) is 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is HVDBSYKCCLKGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c20-14-3-7-17(8-4-14)25-11-18(24)22-10-9-16-12-26-19(23-16)13-1-5-15(21)6-2-13/h1-8,12H,9-11H2,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 7522124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).