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

C20H19ClFN3O3 — CID 100751479

IUPAC2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C20H19ClFN3O3/c1-3-27-16-8-5-13(6-9-16)20-23-18(28-24-20)12-25(2)19(26)10-14-4-7-15(21)11-17(14)22/h4-9,11H,3,10,12H2,1-2H3
InChIKeySLICFJIPIWBAQK-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.13
Rot. Bonds7

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

2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (PubChem CID 100751479) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
PubChem CID100751479
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C20H19ClFN3O3/c1-3-27-16-8-5-13(6-9-16)20-23-18(28-24-20)12-25(2)19(26)10-14-4-7-15(21)11-17(14)22/h4-9,11H,3,10,12H2,1-2H3
InChIKeySLICFJIPIWBAQK-UHFFFAOYSA-N
XLogP4.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 8875008
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758736
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 46671505
2,4-dichloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 8835872
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-prop-2-enoxybenzamide
CID 8895045
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
CID 132662134
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 97267392
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
CID 8835748
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (CID 100751479) is 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is CCOc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is SLICFJIPIWBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-3-27-16-8-5-13(6-9-16)20-23-18(28-24-20)12-25(2)19(26)10-14-4-7-15(21)11-17(14)22/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 403.84 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 100751479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).