2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C15H15ClFN3O3 — CID 91771175

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(F)c(Cl)c1)c1nc(C2CC2)no1
InChIInChI=1S/C15H15ClFN3O3/c1-8(15-19-14(20-23-15)9-2-3-9)18-13(21)7-22-10-4-5-12(17)11(16)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,21)
InChIKeyJJDPJRNBWVMYAO-UHFFFAOYSA-N
MW339.75 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 91771175) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID91771175
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(F)c(Cl)c1)c1nc(C2CC2)no1
InChIInChI=1S/C15H15ClFN3O3/c1-8(15-19-14(20-23-15)9-2-3-9)18-13(21)7-22-10-4-5-12(17)11(16)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,21)
InChIKeyJJDPJRNBWVMYAO-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179213
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558
2-(2,4-dichlorophenoxy)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 60606511
2-(2,5-dichlorophenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820566
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 91771175) is 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(F)c(Cl)c1)c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is JJDPJRNBWVMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c1-8(15-19-14(20-23-15)9-2-3-9)18-13(21)7-22-10-4-5-12(17)11(16)6-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,21).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 339.75 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 91771175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).