[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate

C24H20ClNO4 — CID 2344974

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-19-12-10-18(11-13-19)23(28)20-8-4-5-9-21(20)24(29)30-16-22(27)26-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,27)
InChIKeySWNXSXYKJDBXLC-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.09
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2344974) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2344974
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-19-12-10-18(11-13-19)23(28)20-8-4-5-9-21(20)24(29)30-16-22(27)26-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,27)
InChIKeySWNXSXYKJDBXLC-UHFFFAOYSA-N
XLogP4.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate (CID 2344974) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is SWNXSXYKJDBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c25-19-12-10-18(11-13-19)23(28)20-8-4-5-9-21(20)24(29)30-16-22(27)26-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,27).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 421.88 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2344974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).