(4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate

C17H16FNO3 — CID 27535543

IUPAC(4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO3/c1-12(20)19-16-8-4-13(5-9-16)10-17(21)22-11-14-2-6-15(18)7-3-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLHESPSOPHLPMQB-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.07
Rot. Bonds5

About (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate

(4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate (PubChem CID 27535543) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate
PubChem CID27535543
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO3/c1-12(20)19-16-8-4-13(5-9-16)10-17(21)22-11-14-2-6-15(18)7-3-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLHESPSOPHLPMQB-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate (CID 27535543) is (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is LHESPSOPHLPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12(20)19-16-8-4-13(5-9-16)10-17(21)22-11-14-2-6-15(18)7-3-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate?
(4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate has a molecular weight of 301.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 27535543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).