N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide

C17H23FN2O4 — CID 54639419

IUPACN-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C17H23FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-6,13-15,21H,7-10H2,1-2H3,(H,19,23)/t13-,14+,15+/m0/s1
InChIKeyOYAPENMSDPHQGH-RRFJBIMHSA-N
MW338.38 g/mol
LogP0.94
Rot. Bonds5

About N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide

N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide (PubChem CID 54639419) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
PubChem CID54639419
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC NameN-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C17H23FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-6,13-15,21H,7-10H2,1-2H3,(H,19,23)/t13-,14+,15+/m0/s1
InChIKeyOYAPENMSDPHQGH-RRFJBIMHSA-N
XLogP0.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639421
N-[(2R,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639422
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]oxan-3-yl]benzamide
CID 54639582
2-[(2R,5S,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide
CID 54645541
2-[(2S,5S,6S)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide
CID 54645545
N-[(2R,3R,6S)-6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-1,3-benzodioxole-5-carboxamide
CID 54643293
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid
CID 54639109
N-[2-[(2R,5R,6R)-5-(cyclopentanecarbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]-4-fluorobenzamide
CID 54645626
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide
CID 54642857
N-[(2R,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639931
N-[(2S,3R,6R)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639928
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
CID 54643587

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide (CID 54639419) is N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide is CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1.
What is the InChIKey of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide?
The InChIKey is OYAPENMSDPHQGH-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-6,13-15,21H,7-10H2,1-2H3,(H,19,23)/t13-,14+,15+/m0/s1.
What are the key properties of N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide?
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide has a molecular weight of 338.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 54639419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).