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

C23H17F3N2O2 — CID 134051518

IUPAC2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)16-11-9-15(10-12-16)13-27-21(29)14-28-19-7-3-1-5-17(19)22(30)18-6-2-4-8-20(18)28/h1-12H,13-14H2,(H,27,29)
InChIKeyDNHRHLGFEYVTAC-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.49
Rot. Bonds4

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

2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134051518) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134051518
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)16-11-9-15(10-12-16)13-27-21(29)14-28-19-7-3-1-5-17(19)22(30)18-6-2-4-8-20(18)28/h1-12H,13-14H2,(H,27,29)
InChIKeyDNHRHLGFEYVTAC-UHFFFAOYSA-N
XLogP4.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612623
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16609928
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052839
2-(2-methoxy-9-oxoacridin-10-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 6616693
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 53149181
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 134051518) is 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is DNHRHLGFEYVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)16-11-9-15(10-12-16)13-27-21(29)14-28-19-7-3-1-5-17(19)22(30)18-6-2-4-8-20(18)28/h1-12H,13-14H2,(H,27,29).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134051518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).