2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

C19H16ClFN4O4S — CID 3573405

IUPAC2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C19H16ClFN4O4S/c20-12-5-7-13(8-6-12)28-10-16(26)22-9-18-24-25-19(29-18)30-11-17(27)23-15-4-2-1-3-14(15)21/h1-8H,9-11H2,(H,22,26)(H,23,27)
InChIKeyDJIUIRIEKIASNR-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.29
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 3573405) has the molecular formula C19H16ClFN4O4S and a molecular weight of 450.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID3573405
Molecular FormulaC19H16ClFN4O4S
Molecular Weight450.88 g/mol
Exact Mass450.06
IUPAC Name2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C19H16ClFN4O4S/c20-12-5-7-13(8-6-12)28-10-16(26)22-9-18-24-25-19(29-18)30-11-17(27)23-15-4-2-1-3-14(15)21/h1-8H,9-11H2,(H,22,26)(H,23,27)
InChIKeyDJIUIRIEKIASNR-UHFFFAOYSA-N
XLogP3.29
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 3573405) is 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccccc2F)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is DJIUIRIEKIASNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O4S/c20-12-5-7-13(8-6-12)28-10-16(26)22-9-18-24-25-19(29-18)30-11-17(27)23-15-4-2-1-3-14(15)21/h1-8H,9-11H2,(H,22,26)(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 450.88 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 3573405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).