[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate

C18H18ClNO3 — CID 2353505

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C18H18ClNO3/c19-16-8-6-15(7-9-16)12-18(22)23-13-17(21)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)
InChIKeyWNNKJMVJPMLQNF-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.78
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2353505) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate
PubChem CID2353505
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C18H18ClNO3/c19-16-8-6-15(7-9-16)12-18(22)23-13-17(21)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)
InChIKeyWNNKJMVJPMLQNF-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate (CID 2353505) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is WNNKJMVJPMLQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-16-8-6-15(7-9-16)12-18(22)23-13-17(21)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 331.80 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2353505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).