N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide

C23H16F4N2O2 — CID 6615129

IUPACN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H16F4N2O2/c24-18-10-9-15(23(25,26)27)11-14(18)12-28-21(30)13-29-19-7-3-1-5-16(19)22(31)17-6-2-4-8-20(17)29/h1-11H,12-13H2,(H,28,30)
InChIKeyISJDQSXQSKADNS-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.63
Rot. Bonds4

About N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 6615129) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID6615129
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H16F4N2O2/c24-18-10-9-15(23(25,26)27)11-14(18)12-28-21(30)13-29-19-7-3-1-5-16(19)22(31)17-6-2-4-8-20(17)29/h1-11H,12-13H2,(H,28,30)
InChIKeyISJDQSXQSKADNS-UHFFFAOYSA-N
XLogP4.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide (CID 6615129) is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is ISJDQSXQSKADNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c24-18-10-9-15(23(25,26)27)11-14(18)12-28-21(30)13-29-19-7-3-1-5-16(19)22(31)17-6-2-4-8-20(17)29/h1-11H,12-13H2,(H,28,30).
What are the key properties of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 428.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 6615129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).