N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide

C16H17FN2O2 — CID 20743453

IUPACN-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(c1ccnc(F)c1)C(O)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11(20)19(2)15(13-8-9-18-14(17)10-13)16(21)12-6-4-3-5-7-12/h3-10,15-16,21H,1-2H3
InChIKeyXEEXRMLOCGOFCN-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide

N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide (PubChem CID 20743453) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide
PubChem CID20743453
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(c1ccnc(F)c1)C(O)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11(20)19(2)15(13-8-9-18-14(17)10-13)16(21)12-6-4-3-5-7-12/h3-10,15-16,21H,1-2H3
InChIKeyXEEXRMLOCGOFCN-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
The IUPAC name of N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide (CID 20743453) is N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
The canonical SMILES for N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide is CC(=O)N(C)C(c1ccnc(F)c1)C(O)c1ccccc1.
What is the InChIKey of N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
The InChIKey is XEEXRMLOCGOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(20)19(2)15(13-8-9-18-14(17)10-13)16(21)12-6-4-3-5-7-12/h3-10,15-16,21H,1-2H3.
What are the key properties of N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide has a molecular weight of 288.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide is sourced from PubChem (CID 20743453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).