2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide

C16H16F2N2O3 — CID 109480792

IUPAC2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCC(O)c2ccncc2)cc1
InChIInChI=1S/C16H16F2N2O3/c1-23-13-4-2-12(3-5-13)16(17,18)15(22)20-10-14(21)11-6-8-19-9-7-11/h2-9,14,21H,10H2,1H3,(H,20,22)
InChIKeySNNQLGJQOGPFRH-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.03
Rot. Bonds6

About 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide

2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 109480792) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID109480792
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCC(O)c2ccncc2)cc1
InChIInChI=1S/C16H16F2N2O3/c1-23-13-4-2-12(3-5-13)16(17,18)15(22)20-10-14(21)11-6-8-19-9-7-11/h2-9,14,21H,10H2,1H3,(H,20,22)
InChIKeySNNQLGJQOGPFRH-UHFFFAOYSA-N
XLogP2.03
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide (CID 109480792) is 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(C(F)(F)C(=O)NCC(O)c2ccncc2)cc1.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is SNNQLGJQOGPFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-23-13-4-2-12(3-5-13)16(17,18)15(22)20-10-14(21)11-6-8-19-9-7-11/h2-9,14,21H,10H2,1H3,(H,20,22).
What are the key properties of 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide?
2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 322.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 109480792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).