[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C23H17FN2O4 — CID 16587301

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C23H17FN2O4/c24-15-6-5-7-16(12-15)25-21(27)14-30-22(28)13-26-19-10-3-1-8-17(19)23(29)18-9-2-4-11-20(18)26/h1-12H,13-14H2,(H,25,27)
InChIKeyDUMBQCQISIXOHA-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.48
Rot. Bonds5

About [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587301) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587301
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C23H17FN2O4/c24-15-6-5-7-16(12-15)25-21(27)14-30-22(28)13-26-19-10-3-1-8-17(19)23(29)18-9-2-4-11-20(18)26/h1-12H,13-14H2,(H,25,27)
InChIKeyDUMBQCQISIXOHA-UHFFFAOYSA-N
XLogP3.48
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.48
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-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587225
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587266
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[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-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
CID 42316342
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
[2-(3-fluoroanilino)-2-oxoethyl] 1-benzyl-4-oxoquinoline-3-carboxylate
CID 75401355

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587301) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is DUMBQCQISIXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c24-15-6-5-7-16(12-15)25-21(27)14-30-22(28)13-26-19-10-3-1-8-17(19)23(29)18-9-2-4-11-20(18)26/h1-12H,13-14H2,(H,25,27).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 404.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).