2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide

C20H16F2N3O3P — CID 143972634

IUPAC2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide
SMILESNC(=O)COc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C20H16F2N3O3P/c21-20(22,29)19(27)15-4-2-1-3-13(15)18-14(11-7-24-10-25-8-11)5-12(6-16(18)19)28-9-17(23)26/h1-8,10,27H,9,29H2,(H2,23,26)
InChIKeyFHHHWOUNKXVGPV-UHFFFAOYSA-N
MW415.34 g/mol
LogP2.69
Rot. Bonds5

About 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide

2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide (PubChem CID 143972634) has the molecular formula C20H16F2N3O3P and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide
PubChem CID143972634
Molecular FormulaC20H16F2N3O3P
Molecular Weight415.34 g/mol
Exact Mass415.09
IUPAC Name2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide
SMILESNC(=O)COc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C20H16F2N3O3P/c21-20(22,29)19(27)15-4-2-1-3-13(15)18-14(11-7-24-10-25-8-11)5-12(6-16(18)19)28-9-17(23)26/h1-8,10,27H,9,29H2,(H2,23,26)
InChIKeyFHHHWOUNKXVGPV-UHFFFAOYSA-N
XLogP2.69
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide?
The IUPAC name of 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide (CID 143972634) is 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide.
What is the SMILES notation for 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide?
The canonical SMILES for 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide is NC(=O)COc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)P)c1ccccc1-2.
What is the InChIKey of 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide?
The InChIKey is FHHHWOUNKXVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N3O3P/c21-20(22,29)19(27)15-4-2-1-3-13(15)18-14(11-7-24-10-25-8-11)5-12(6-16(18)19)28-9-17(23)26/h1-8,10,27H,9,29H2,(H2,23,26).
What are the key properties of 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide?
2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide has a molecular weight of 415.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[difluoro(phosphanyl)methyl]-9-hydroxy-4-pyrimidin-5-ylfluoren-2-yl]oxyacetamide is sourced from PubChem (CID 143972634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).