2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C23H17F3N2O3 — CID 6616637

IUPAC2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3/c1-31-16-9-10-20-18(12-16)22(30)17-7-2-3-8-19(17)28(20)13-21(29)27-15-6-4-5-14(11-15)23(24,25)26/h2-12H,13H2,1H3,(H,27,29)
InChIKeyWCBVPZGWUULWLZ-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.82
Rot. Bonds4

About 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 6616637) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID6616637
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC Name2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3/c1-31-16-9-10-20-18(12-16)22(30)17-7-2-3-8-19(17)28(20)13-21(29)27-15-6-4-5-14(11-15)23(24,25)26/h2-12H,13H2,1H3,(H,27,29)
InChIKeyWCBVPZGWUULWLZ-UHFFFAOYSA-N
XLogP4.82
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 6616637) is 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCBVPZGWUULWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c1-31-16-9-10-20-18(12-16)22(30)17-7-2-3-8-19(17)28(20)13-21(29)27-15-6-4-5-14(11-15)23(24,25)26/h2-12H,13H2,1H3,(H,27,29).
What are the key properties of 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.39 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-9-oxoacridin-10-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 6616637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).