2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide

C17H17FN2O3 — CID 3978883

IUPAC2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-12-2-6-14(7-3-12)19-16(21)10-23-11-17(22)20-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOJEIPZAJLFETDY-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide

2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide (PubChem CID 3978883) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide
PubChem CID3978883
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-12-2-6-14(7-3-12)19-16(21)10-23-11-17(22)20-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOJEIPZAJLFETDY-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide (CID 3978883) is 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is OJEIPZAJLFETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12-2-6-14(7-3-12)19-16(21)10-23-11-17(22)20-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide?
2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3978883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).