2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C18H14Cl2FN3O3 — CID 49179213

IUPAC2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H14Cl2FN3O3/c1-10(18-23-17(24-27-18)11-2-4-12(21)5-3-11)22-16(25)9-26-13-6-7-14(19)15(20)8-13/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyLZIKWGNGOOUIHH-UHFFFAOYSA-N
MW410.23 g/mol
LogP4.44
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 49179213) has the molecular formula C18H14Cl2FN3O3 and a molecular weight of 410.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID49179213
Molecular FormulaC18H14Cl2FN3O3
Molecular Weight410.23 g/mol
Exact Mass409.04
IUPAC Name2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H14Cl2FN3O3/c1-10(18-23-17(24-27-18)11-2-4-12(21)5-3-11)22-16(25)9-26-13-6-7-14(19)15(20)8-13/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyLZIKWGNGOOUIHH-UHFFFAOYSA-N
XLogP4.44
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179679
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91771175
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
2-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-nitrobenzamide
CID 49179767
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 52513082
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 49179572
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 49179213) is 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CC(NC(=O)COc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is LZIKWGNGOOUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O3/c1-10(18-23-17(24-27-18)11-2-4-12(21)5-3-11)22-16(25)9-26-13-6-7-14(19)15(20)8-13/h2-8,10H,9H2,1H3,(H,22,25).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 410.23 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 49179213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).