[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

C22H13Cl3O4 — CID 23793601

IUPAC[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H13Cl3O4/c23-14-7-5-13(6-8-14)21(27)16-3-1-2-4-17(16)22(28)29-12-20(26)18-11-15(24)9-10-19(18)25/h1-11H,12H2
InChIKeyINLGWLFTDWRNPS-UHFFFAOYSA-N
MW447.70 g/mol
LogP5.92
Rot. Bonds6

About [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 23793601) has the molecular formula C22H13Cl3O4 and a molecular weight of 447.70 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID23793601
Molecular FormulaC22H13Cl3O4
Molecular Weight447.70 g/mol
Exact Mass445.99
IUPAC Name[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H13Cl3O4/c23-14-7-5-13(6-8-14)21(27)16-3-1-2-4-17(16)22(28)29-12-20(26)18-11-15(24)9-10-19(18)25/h1-11H,12H2
InChIKeyINLGWLFTDWRNPS-UHFFFAOYSA-N
XLogP5.92
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dichlorophenyl)-2-oxoethyl] 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

Related Compounds

[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 23882207
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2083733
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-chlorobenzoyl)benzoate
CID 23905777
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088
decyl 2-(4-chlorobenzoyl)benzoate
CID 175281654
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630638
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 3965330

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 23793601) is [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is INLGWLFTDWRNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3O4/c23-14-7-5-13(6-8-14)21(27)16-3-1-2-4-17(16)22(28)29-12-20(26)18-11-15(24)9-10-19(18)25/h1-11H,12H2.
What are the key properties of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 447.70 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 23793601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).