2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C20H20ClFN2O3S — CID 159901074

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCCc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1
InChIInChI=1S/C20H20ClFN2O3S/c1-2-18-23-7-16(28-18)15(25)6-19-9-20(10-19,11-19)24-17(26)8-27-12-3-4-13(21)14(22)5-12/h3-5,7H,2,6,8-11H2,1H3,(H,24,26)
InChIKeyNVYSVOZFSXRZOL-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.19
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 159901074) has the molecular formula C20H20ClFN2O3S and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID159901074
Molecular FormulaC20H20ClFN2O3S
Molecular Weight422.91 g/mol
Exact Mass422.09
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCCc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1
InChIInChI=1S/C20H20ClFN2O3S/c1-2-18-23-7-16(28-18)15(25)6-19-9-20(10-19,11-19)24-17(26)8-27-12-3-4-13(21)14(22)5-12/h3-5,7H,2,6,8-11H2,1H3,(H,24,26)
InChIKeyNVYSVOZFSXRZOL-UHFFFAOYSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161385459
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158290245
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3,5-difluorophenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159469496
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159629571
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159413972
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methylsulfonylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157344404
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(2-propyl-1,3-thiazol-5-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;5-(2-cyclopropylethyl)-N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 162017741
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 160807200
2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-chloro-3-fluorophenoxy)-4-methoxy-2-oxobutyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157445284
2-(3,4-dichlorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159869670

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 159901074) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is CCc1ncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is NVYSVOZFSXRZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3S/c1-2-18-23-7-16(28-18)15(25)6-19-9-20(10-19,11-19)24-17(26)8-27-12-3-4-13(21)14(22)5-12/h3-5,7H,2,6,8-11H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 422.91 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 159901074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).