[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate

C24H19Cl2NO4 — CID 3436968

IUPAC[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2NO4/c25-18-11-10-16(21(26)14-18)12-13-27-22(28)15-31-24(30)20-9-5-4-8-19(20)23(29)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,27,28)
InChIKeyGJIWXFBZSPXSFM-UHFFFAOYSA-N
MW456.33 g/mol
LogP4.74
Rot. Bonds8

About [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 3436968) has the molecular formula C24H19Cl2NO4 and a molecular weight of 456.33 g/mol. Its IUPAC name is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate
PubChem CID3436968
Molecular FormulaC24H19Cl2NO4
Molecular Weight456.33 g/mol
Exact Mass455.07
IUPAC Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2NO4/c25-18-11-10-16(21(26)14-18)12-13-27-22(28)15-31-24(30)20-9-5-4-8-19(20)23(29)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,27,28)
InChIKeyGJIWXFBZSPXSFM-UHFFFAOYSA-N
XLogP4.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate (CID 3436968) is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is GJIWXFBZSPXSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO4/c25-18-11-10-16(21(26)14-18)12-13-27-22(28)15-31-24(30)20-9-5-4-8-19(20)23(29)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,27,28).
What are the key properties of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate?
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 456.33 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 3436968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).