[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C17H16FNO4 — CID 2335014

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4/c1-22-15-8-2-12(3-9-15)10-17(21)23-11-16(20)19-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyJWWJWAIILINNJI-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.56
Rot. Bonds6

About [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2335014) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2335014
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4/c1-22-15-8-2-12(3-9-15)10-17(21)23-11-16(20)19-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyJWWJWAIILINNJI-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2335014) is [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is JWWJWAIILINNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-22-15-8-2-12(3-9-15)10-17(21)23-11-16(20)19-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 317.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2335014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).