[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate

C17H15ClFNO3 — CID 78536053

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
SMILESCC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(17(22)20-15-8-6-14(19)7-9-15)23-16(21)10-12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyLBAUCYQLDUXCBE-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.59
Rot. Bonds5

About [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate (PubChem CID 78536053) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
PubChem CID78536053
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
SMILESCC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(17(22)20-15-8-6-14(19)7-9-15)23-16(21)10-12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyLBAUCYQLDUXCBE-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate (CID 78536053) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate is CC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The InChIKey is LBAUCYQLDUXCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11(17(22)20-15-8-6-14(19)7-9-15)23-16(21)10-12-2-4-13(18)5-3-12/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate has a molecular weight of 335.76 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 78536053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).