[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C23H16Cl2N2O4 — CID 16587212

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C23H16Cl2N2O4/c24-14-9-10-17(25)18(11-14)26-21(28)13-31-22(29)12-27-19-7-3-1-5-15(19)23(30)16-6-2-4-8-20(16)27/h1-11H,12-13H2,(H,26,28)
InChIKeyYDWFYRPIGDBDQB-UHFFFAOYSA-N
MW455.30 g/mol
LogP4.64
Rot. Bonds5

About [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587212) has the molecular formula C23H16Cl2N2O4 and a molecular weight of 455.30 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587212
Molecular FormulaC23H16Cl2N2O4
Molecular Weight455.30 g/mol
Exact Mass454.05
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C23H16Cl2N2O4/c24-14-9-10-17(25)18(11-14)26-21(28)13-31-22(29)12-27-19-7-3-1-5-15(19)23(30)16-6-2-4-8-20(16)27/h1-11H,12-13H2,(H,26,28)
InChIKeyYDWFYRPIGDBDQB-UHFFFAOYSA-N
XLogP4.64
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate 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-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587225
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
CID 16587255
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940037
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587212) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is YDWFYRPIGDBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O4/c24-14-9-10-17(25)18(11-14)26-21(28)13-31-22(29)12-27-19-7-3-1-5-15(19)23(30)16-6-2-4-8-20(16)27/h1-11H,12-13H2,(H,26,28).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 455.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).