[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate

C23H16F3NO3 — CID 16612623

IUPAC[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3NO3/c24-23(25,26)16-11-9-15(10-12-16)14-30-21(28)13-27-19-7-3-1-5-17(19)22(29)18-6-2-4-8-20(18)27/h1-12H,13-14H2
InChIKeyOCVZNFXKFBZZOG-UHFFFAOYSA-N
MW411.38 g/mol
LogP4.92
Rot. Bonds4

About [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate

[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612623) has the molecular formula C23H16F3NO3 and a molecular weight of 411.38 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612623
Molecular FormulaC23H16F3NO3
Molecular Weight411.38 g/mol
Exact Mass411.11
IUPAC Name[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3NO3/c24-23(25,26)16-11-9-15(10-12-16)14-30-21(28)13-27-19-7-3-1-5-17(19)22(29)18-6-2-4-8-20(18)27/h1-12H,13-14H2
InChIKeyOCVZNFXKFBZZOG-UHFFFAOYSA-N
XLogP4.92
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134051518
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
CID 46688678
[4-(trifluoromethyl)phenyl]methyl 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55444882
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587380
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate (CID 16612623) is [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is OCVZNFXKFBZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO3/c24-23(25,26)16-11-9-15(10-12-16)14-30-21(28)13-27-19-7-3-1-5-17(19)22(29)18-6-2-4-8-20(18)27/h1-12H,13-14H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate?
[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 411.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).