[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate

C24H19ClN2O5 — CID 2117736

IUPAC[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19ClN2O5/c1-15(28)26-19-10-7-17(8-11-19)24(31)32-14-22(29)27-21-12-9-18(25)13-20(21)23(30)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyWMQOFELOSDNXCD-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.32
Rot. Bonds7

About [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 2117736) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID2117736
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H19ClN2O5/c1-15(28)26-19-10-7-17(8-11-19)24(31)32-14-22(29)27-21-12-9-18(25)13-20(21)23(30)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyWMQOFELOSDNXCD-UHFFFAOYSA-N
XLogP4.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate 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-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate (CID 2117736) is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is WMQOFELOSDNXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c1-15(28)26-19-10-7-17(8-11-19)24(31)32-14-22(29)27-21-12-9-18(25)13-20(21)23(30)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 450.88 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 2117736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).