N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide

C16H17FN2O4 — CID 126825240

IUPACN-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NC(CO)C(O)c1ccccn1
InChIInChI=1S/C16H17FN2O4/c17-11-5-1-2-7-14(11)23-10-15(21)19-13(9-20)16(22)12-6-3-4-8-18-12/h1-8,13,16,20,22H,9-10H2,(H,19,21)
InChIKeyDMEAOHJSEZAKIT-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.81
Rot. Bonds7

About N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide

N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide (PubChem CID 126825240) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide
PubChem CID126825240
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC NameN-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NC(CO)C(O)c1ccccn1
InChIInChI=1S/C16H17FN2O4/c17-11-5-1-2-7-14(11)23-10-15(21)19-13(9-20)16(22)12-6-3-4-8-18-12/h1-8,13,16,20,22H,9-10H2,(H,19,21)
InChIKeyDMEAOHJSEZAKIT-UHFFFAOYSA-N
XLogP0.81
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
3-chloro-N-[(2S)-1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138545
2-(2-bromo-4-fluorophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 25357467
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077110
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 8795213
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide (CID 126825240) is N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NC(CO)C(O)c1ccccn1.
What is the InChIKey of N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is DMEAOHJSEZAKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-11-5-1-2-7-14(11)23-10-15(21)19-13(9-20)16(22)12-6-3-4-8-18-12/h1-8,13,16,20,22H,9-10H2,(H,19,21).
What are the key properties of N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide?
N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 320.32 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 126825240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).