N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

C17H13ClFN3O3 — CID 51208532

IUPACN-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2ccc(OCC(=O)Nc3ccc(F)cc3Cl)cc2)no1
InChIInChI=1S/C17H13ClFN3O3/c1-10-20-17(22-25-10)11-2-5-13(6-3-11)24-9-16(23)21-15-7-4-12(19)8-14(15)18/h2-8H,9H2,1H3,(H,21,23)
InChIKeyXWFHYOWTEJBDTL-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.86
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 51208532) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID51208532
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2ccc(OCC(=O)Nc3ccc(F)cc3Cl)cc2)no1
InChIInChI=1S/C17H13ClFN3O3/c1-10-20-17(22-25-10)11-2-5-13(6-3-11)24-9-16(23)21-15-7-4-12(19)8-14(15)18/h2-8H,9H2,1H3,(H,21,23)
InChIKeyXWFHYOWTEJBDTL-UHFFFAOYSA-N
XLogP3.86
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51323285
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
dimethyl 5-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55390871
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(2-chloro-4-fluorophenyl)-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107781
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 51208532) is N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is Cc1nc(-c2ccc(OCC(=O)Nc3ccc(F)cc3Cl)cc2)no1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is XWFHYOWTEJBDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-10-20-17(22-25-10)11-2-5-13(6-3-11)24-9-16(23)21-15-7-4-12(19)8-14(15)18/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 361.76 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 51208532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).