[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C25H21FN2O4 — CID 16612552

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H21FN2O4/c1-27(14-17-8-2-5-11-20(17)26)23(29)16-32-24(30)15-28-21-12-6-3-9-18(21)25(31)19-10-4-7-13-22(19)28/h2-13H,14-16H2,1H3
InChIKeyKURJXNQLELDDGX-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.50
Rot. Bonds6

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612552) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612552
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H21FN2O4/c1-27(14-17-8-2-5-11-20(17)26)23(29)16-32-24(30)15-28-21-12-6-3-9-18(21)25(31)19-10-4-7-13-22(19)28/h2-13H,14-16H2,1H3
InChIKeyKURJXNQLELDDGX-UHFFFAOYSA-N
XLogP3.50
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
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-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55397003
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55397130
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46413115
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612554

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16612552) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is CN(Cc1ccccc1F)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is KURJXNQLELDDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-27(14-17-8-2-5-11-20(17)26)23(29)16-32-24(30)15-28-21-12-6-3-9-18(21)25(31)19-10-4-7-13-22(19)28/h2-13H,14-16H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 432.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).