N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide

C21H23F2NO2 — CID 50949704

IUPACN-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2c(F)cccc2F)C1
InChIInChI=1S/C21H23F2NO2/c1-14(25)24-16-12-17(11-10-15-6-3-2-4-7-15)26-20(13-16)21-18(22)8-5-9-19(21)23/h2-9,16-17,20H,10-13H2,1H3,(H,24,25)/t16-,17+,20+/m1/s1
InChIKeyJQCBSUPTPWBOBE-UWVAXJGDSA-N
MW359.42 g/mol
LogP4.32
Rot. Bonds5

About N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide (PubChem CID 50949704) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide
PubChem CID50949704
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2c(F)cccc2F)C1
InChIInChI=1S/C21H23F2NO2/c1-14(25)24-16-12-17(11-10-15-6-3-2-4-7-15)26-20(13-16)21-18(22)8-5-9-19(21)23/h2-9,16-17,20H,10-13H2,1H3,(H,24,25)/t16-,17+,20+/m1/s1
InChIKeyJQCBSUPTPWBOBE-UWVAXJGDSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide (CID 50949704) is N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2c(F)cccc2F)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide?
The InChIKey is JQCBSUPTPWBOBE-UWVAXJGDSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-14(25)24-16-12-17(11-10-15-6-3-2-4-7-15)26-20(13-16)21-18(22)8-5-9-19(21)23/h2-9,16-17,20H,10-13H2,1H3,(H,24,25)/t16-,17+,20+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide has a molecular weight of 359.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(2,6-difluorophenyl)-6-(2-phenylethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50949704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).