[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

C17H15ClFNO3 — CID 2544649

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c18-14-7-5-12(6-8-14)10-20-16(21)11-23-17(22)9-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,21)
InChIKeyRMSJUZQLOYFRJU-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.88
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544649) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544649
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c18-14-7-5-12(6-8-14)10-20-16(21)11-23-17(22)9-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,21)
InChIKeyRMSJUZQLOYFRJU-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544649) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(COC(=O)Cc1ccccc1F)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is RMSJUZQLOYFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c18-14-7-5-12(6-8-14)10-20-16(21)11-23-17(22)9-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,21).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 335.76 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).