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

C20H17ClF4N2O3S — CID 159413972

IUPAC2-(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
SMILESCc1nc(C(F)(F)F)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1
InChIInChI=1S/C20H17ClF4N2O3S/c1-10-26-17(20(23,24)25)16(31-10)14(28)5-18-7-19(8-18,9-18)27-15(29)6-30-11-2-3-12(21)13(22)4-11/h2-4H,5-9H2,1H3,(H,27,29)
InChIKeyLOXTVYCFKSDXOL-UHFFFAOYSA-N
MW476.88 g/mol
LogP4.95
Rot. Bonds7

About 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

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 (PubChem CID 159413972) has the molecular formula C20H17ClF4N2O3S and a molecular weight of 476.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159413972
Molecular FormulaC20H17ClF4N2O3S
Molecular Weight476.88 g/mol
Exact Mass476.06
IUPAC Name2-(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
SMILESCc1nc(C(F)(F)F)c(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)s1
InChIInChI=1S/C20H17ClF4N2O3S/c1-10-26-17(20(23,24)25)16(31-10)14(28)5-18-7-19(8-18,9-18)27-15(29)6-30-11-2-3-12(21)13(22)4-11/h2-4H,5-9H2,1H3,(H,27,29)
InChIKeyLOXTVYCFKSDXOL-UHFFFAOYSA-N
XLogP4.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.88
LogP ≤ 54.95
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-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159901074
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-[2-(3,5-difluorophenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159469496
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-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158290245
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-methylsulfonylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157344404
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 158128750
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-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3,4-dichlorophenyl)-2-oxoethyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610373

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(F)(F)F)c(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-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is LOXTVYCFKSDXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF4N2O3S/c1-10-26-17(20(23,24)25)16(31-10)14(28)5-18-7-19(8-18,9-18)27-15(29)6-30-11-2-3-12(21)13(22)4-11/h2-4H,5-9H2,1H3,(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 476.88 g/mol, XLogP of 4.95, 7 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-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 159413972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).