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

C17H12Cl2FN3O3 — CID 110318988

IUPAC2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H12Cl2FN3O3/c18-10-5-6-14(12(19)7-10)25-9-15(24)21-8-16-22-23-17(26-16)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,24)
InChIKeyWNPLGBPEZWSWKQ-UHFFFAOYSA-N
MW396.21 g/mol
LogP3.88
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 110318988) has the molecular formula C17H12Cl2FN3O3 and a molecular weight of 396.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID110318988
Molecular FormulaC17H12Cl2FN3O3
Molecular Weight396.21 g/mol
Exact Mass395.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H12Cl2FN3O3/c18-10-5-6-14(12(19)7-10)25-9-15(24)21-8-16-22-23-17(26-16)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,24)
InChIKeyWNPLGBPEZWSWKQ-UHFFFAOYSA-N
XLogP3.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318447
2-(2,4-dichlorophenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318700
5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 110319082
2-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 712393
2-(2,4-dichlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2986657
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110318991
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 55332629
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
N-[(2-fluorophenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943791

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 110318988) is 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is WNPLGBPEZWSWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O3/c18-10-5-6-14(12(19)7-10)25-9-15(24)21-8-16-22-23-17(26-16)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 396.21 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 110318988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).