[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C23H17BrN2O4 — CID 16587173

IUPAC[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O4/c24-15-9-11-16(12-10-15)25-21(27)14-30-22(28)13-26-19-7-3-1-5-17(19)23(29)18-6-2-4-8-20(18)26/h1-12H,13-14H2,(H,25,27)
InChIKeyXUDORWZVVKSIPH-UHFFFAOYSA-N
MW465.30 g/mol
LogP4.10
Rot. Bonds5

About [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587173) has the molecular formula C23H17BrN2O4 and a molecular weight of 465.30 g/mol. Its IUPAC name is [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587173
Molecular FormulaC23H17BrN2O4
Molecular Weight465.30 g/mol
Exact Mass464.04
IUPAC Name[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O4/c24-15-9-11-16(12-10-15)25-21(27)14-30-22(28)13-26-19-7-3-1-5-17(19)23(29)18-6-2-4-8-20(18)26/h1-12H,13-14H2,(H,25,27)
InChIKeyXUDORWZVVKSIPH-UHFFFAOYSA-N
XLogP4.10
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587225
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
CID 16587255
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
[2-(4-bromoanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705615

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587173) is [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is XUDORWZVVKSIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O4/c24-15-9-11-16(12-10-15)25-21(27)14-30-22(28)13-26-19-7-3-1-5-17(19)23(29)18-6-2-4-8-20(18)26/h1-12H,13-14H2,(H,25,27).
What are the key properties of [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 465.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).