2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C20H20ClF3N4O3 — CID 151291936

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(c3nnc(CN4CCC(F)(F)C4)o3)(C1)C2
InChIInChI=1S/C20H20ClF3N4O3/c21-13-2-1-12(5-14(13)22)30-7-15(29)25-19-8-18(9-19,10-19)17-27-26-16(31-17)6-28-4-3-20(23,24)11-28/h1-2,5H,3-4,6-11H2,(H,25,29)
InChIKeyOAPLEMHENGWBNJ-UHFFFAOYSA-N
MW456.85 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 151291936) has the molecular formula C20H20ClF3N4O3 and a molecular weight of 456.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID151291936
Molecular FormulaC20H20ClF3N4O3
Molecular Weight456.85 g/mol
Exact Mass456.12
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(c3nnc(CN4CCC(F)(F)C4)o3)(C1)C2
InChIInChI=1S/C20H20ClF3N4O3/c21-13-2-1-12(5-14(13)22)30-7-15(29)25-19-8-18(9-19,10-19)17-27-26-16(31-17)6-28-4-3-20(23,24)11-28/h1-2,5H,3-4,6-11H2,(H,25,29)
InChIKeyOAPLEMHENGWBNJ-UHFFFAOYSA-N
XLogP3.07
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(2R,4R)-6-chloro-4-methyl-3,4-dihydro-2H-chromen-2-yl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155717353
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575
2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
CID 154979264
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-hydroxy-4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]acetamide
CID 138609652
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(1-methylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610679
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[5-(4-chloro-3-fluorophenoxy)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142586448
2-(4-chloro-3-fluorophenoxy)-N-[3-[(5S)-5-cyclopentyl-4,5-dihydro-1,2-oxazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491396
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-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 151291936) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(c3nnc(CN4CCC(F)(F)C4)o3)(C1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is OAPLEMHENGWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O3/c21-13-2-1-12(5-14(13)22)30-7-15(29)25-19-8-18(9-19,10-19)17-27-26-16(31-17)6-28-4-3-20(23,24)11-28/h1-2,5H,3-4,6-11H2,(H,25,29).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 456.85 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 151291936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).