N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide

C23H18BrFN2O3 — CID 25333504

IUPACN-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCCOc1c(Br)cc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H18BrFN2O3/c1-2-30-23-17(24)11-14(25)12-18(23)26-21(28)13-27-19-9-5-3-7-15(19)22(29)16-8-4-6-10-20(16)27/h3-12H,2,13H2,1H3,(H,26,28)
InChIKeyUVKNJKBRAIVYIL-UHFFFAOYSA-N
MW469.31 g/mol
LogP5.09
Rot. Bonds5

About N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide

N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 25333504) has the molecular formula C23H18BrFN2O3 and a molecular weight of 469.31 g/mol. Its IUPAC name is N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID25333504
Molecular FormulaC23H18BrFN2O3
Molecular Weight469.31 g/mol
Exact Mass468.05
IUPAC NameN-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCCOc1c(Br)cc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H18BrFN2O3/c1-2-30-23-17(24)11-14(25)12-18(23)26-21(28)13-27-19-9-5-3-7-15(19)22(29)16-8-4-6-10-20(16)27/h3-12H,2,13H2,1H3,(H,26,28)
InChIKeyUVKNJKBRAIVYIL-UHFFFAOYSA-N
XLogP5.09
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.31
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98076624
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
2-(3-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 22330410
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
CID 6616650
N-(1-ethyl-4-oxo-3-pyridinyl)-2-(9-oxoacridin-10-yl)acetamide
CID 91646643
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 34563069
N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583698
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide (CID 25333504) is N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide is CCOc1c(Br)cc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is UVKNJKBRAIVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN2O3/c1-2-30-23-17(24)11-14(25)12-18(23)26-21(28)13-27-19-9-5-3-7-15(19)22(29)16-8-4-6-10-20(16)27/h3-12H,2,13H2,1H3,(H,26,28).
What are the key properties of N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 469.31 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 25333504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).