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

C19H16ClFN2O2S — CID 7216597

IUPAC2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16ClFN2O2S/c20-14-4-6-17(7-5-14)25-11-18(24)22-9-8-16-12-26-19(23-16)13-2-1-3-15(21)10-13/h1-7,10,12H,8-9,11H2,(H,22,24)
InChIKeyHSWRABWEQVJORP-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.34
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 7216597) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID7216597
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16ClFN2O2S/c20-14-4-6-17(7-5-14)25-11-18(24)22-9-8-16-12-26-19(23-16)13-2-1-3-15(21)10-13/h1-7,10,12H,8-9,11H2,(H,22,24)
InChIKeyHSWRABWEQVJORP-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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Related Compounds

2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35343656
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35344762
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
CID 7216624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 7216597) is 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is HSWRABWEQVJORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c20-14-4-6-17(7-5-14)25-11-18(24)22-9-8-16-12-26-19(23-16)13-2-1-3-15(21)10-13/h1-7,10,12H,8-9,11H2,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[2-(3-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-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 7216597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).