2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide

C20H14F3N3O3 — CID 59492964

IUPAC2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
SMILESNC(=O)COc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)19(28)15-4-2-1-3-13(15)18-14(11-7-25-10-26-8-11)5-12(6-16(18)19)29-9-17(24)27/h1-8,10,28H,9H2,(H2,24,27)
InChIKeyWAWMLXCIXKQNGE-UHFFFAOYSA-N
MW401.34 g/mol
LogP2.79
Rot. Bonds4

About 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide

2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide (PubChem CID 59492964) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
PubChem CID59492964
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC Name2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
SMILESNC(=O)COc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)19(28)15-4-2-1-3-13(15)18-14(11-7-25-10-26-8-11)5-12(6-16(18)19)29-9-17(24)27/h1-8,10,28H,9H2,(H2,24,27)
InChIKeyWAWMLXCIXKQNGE-UHFFFAOYSA-N
XLogP2.79
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The IUPAC name of 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide (CID 59492964) is 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide.
What is the SMILES notation for 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The canonical SMILES for 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide is NC(=O)COc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The InChIKey is WAWMLXCIXKQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c21-20(22,23)19(28)15-4-2-1-3-13(15)18-14(11-7-25-10-26-8-11)5-12(6-16(18)19)29-9-17(24)27/h1-8,10,28H,9H2,(H2,24,27).
What are the key properties of 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide has a molecular weight of 401.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide is sourced from PubChem (CID 59492964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).