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

C16H13ClFNO3 — CID 2521010

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO3/c17-12-3-1-11(2-4-12)9-16(21)22-10-15(20)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,20)
InChIKeyFKBCILXQFXWNPR-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.20
Rot. Bonds5

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

[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2521010) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2521010
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO3/c17-12-3-1-11(2-4-12)9-16(21)22-10-15(20)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,20)
InChIKeyFKBCILXQFXWNPR-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2521010) is [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is FKBCILXQFXWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-12-3-1-11(2-4-12)9-16(21)22-10-15(20)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 321.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2521010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).